(3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-methylpropyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;(3,4-dimethoxyphenyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;bis([(S)-phenyl(pyridin-3-yl)methyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate

C275H324N38O44 — CID 159470442

IUPAC(3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-methylpropyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;(3,4-dimethoxyphenyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;bis([(S)-phenyl(pyridin-3-yl)methyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate
SMILESCC[C@@H](c1ccc(C(=O)Nc2ccccc2N)cc1)N(CCOCCN1CCOCC1)C(=O)OCc1cccnc1.COc1ccc(COC(=O)N(CCOCCN2CCOCC2)[C@@H](c2ccccc2)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1OC.COc1ccc(COC(=O)N(CCOCCN2CCOCC2)[C@H](c2ccc(C(=O)Nc3ccccc3N)cc2)C(C)C)cc1OC.C[C@@H](c1ccc(C(=O)Nc2ccccc2N)cc1)N(CCOCCN1CCOCC1)C(=O)OCc1cccnc1.C[C@H](OC(=O)N(CCOCCN1CCOCC1)[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1.Nc1ccccc1NC(=O)c1ccc(CN(CCOCCN2CCOCC2)C(=O)O[C@@H](c2ccccc2)c2cccnc2)cc1.Nc1ccccc1NC(=O)c1ccc(CN(CCOCCN2CCOCC2)C(=O)O[C@@H](c2ccccc2)c2cccnc2)cc1.Nc1ccccc1NC(=O)c1ccc([C@H](c2ccccc2)N(CCOCCN2CCOCC2)C(=O)OCc2cccnc2)cc1
InChIInChI=1S/C38H44N4O7.C36H41N5O5.3C35H39N5O5.C35H46N4O7.C31H39N5O5.C30H37N5O5/c1-45-34-17-12-28(26-35(34)46-2)27-49-38(44)42(21-25-48-24-20-41-18-22-47-23-19-41)36(29-8-4-3-5-9-29)30-13-15-31(16-14-30)37(43)40-33-11-7-6-10-32(33)39;1-27(31-10-7-17-38-26-31)46-36(43)41(21-25-45-24-20-40-18-22-44-23-19-40)34(28-8-3-2-4-9-28)29-13-15-30(16-14-29)35(42)39-33-12-6-5-11-32(33)37;36-31-10-4-5-11-32(31)38-34(41)30-14-12-29(13-15-30)33(28-8-2-1-3-9-28)40(35(42)45-26-27-7-6-16-37-25-27)20-24-44-23-19-39-17-21-43-22-18-39;2*36-31-10-4-5-11-32(31)38-34(41)29-14-12-27(13-15-29)26-40(20-24-44-23-19-39-17-21-43-22-18-39)35(42)45-33(28-7-2-1-3-8-28)30-9-6-16-37-25-30;1-25(2)33(27-10-12-28(13-11-27)34(40)37-30-8-6-5-7-29(30)36)39(18-22-45-21-17-38-15-19-44-20-16-38)35(41)46-24-26-9-14-31(42-3)32(23-26)43-4;1-2-29(25-9-11-26(12-10-25)30(37)34-28-8-4-3-7-27(28)32)36(31(38)41-23-24-6-5-13-33-22-24)17-21-40-20-16-35-14-18-39-19-15-35;1-23(25-8-10-26(11-9-25)29(36)33-28-7-3-2-6-27(28)31)35(30(37)40-22-24-5-4-12-32-21-24)16-20-39-19-15-34-13-17-38-18-14-34/h3-17,26,36H,18-25,27,39H2,1-2H3,(H,40,43);2-17,26-27,34H,18-25,37H2,1H3,(H,39,42);3*1-16,25,33H,17-24,26,36H2,(H,38,41);5-14,23,25,33H,15-22,24,36H2,1-4H3,(H,37,40);3-13,22,29H,2,14-21,23,32H2,1H3,(H,34,37);2-12,21,23H,13-20,22,31H2,1H3,(H,33,36)/t36-;27-,34-;4*33-;29-;23-/m00000000/s1
InChIKeyLVSPTFVADCIMQY-FXAGOECLSA-N
MW4865.84 g/mol
LogP39.69
Rot. Bonds107

About (3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-methylpropyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;(3,4-dimethoxyphenyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;bis([(S)-phenyl(pyridin-3-yl)methyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate

(3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-methylpropyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;(3,4-dimethoxyphenyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;bis([(S)-phenyl(pyridin-3-yl)methyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate (PubChem CID 159470442) has the molecular formula C275H324N38O44 and a molecular weight of 4865.84 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-methylpropyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;(3,4-dimethoxyphenyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;bis([(S)-phenyl(pyridin-3-yl)methyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-methylpropyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;(3,4-dimethoxyphenyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;bis([(S)-phenyl(pyridin-3-yl)methyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate
PubChem CID159470442
Molecular FormulaC275H324N38O44
Molecular Weight4865.84 g/mol
Exact Mass4862.43
IUPAC Name(3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-methylpropyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;(3,4-dimethoxyphenyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;bis([(S)-phenyl(pyridin-3-yl)methyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate
SMILESCC[C@@H](c1ccc(C(=O)Nc2ccccc2N)cc1)N(CCOCCN1CCOCC1)C(=O)OCc1cccnc1.COc1ccc(COC(=O)N(CCOCCN2CCOCC2)[C@@H](c2ccccc2)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1OC.COc1ccc(COC(=O)N(CCOCCN2CCOCC2)[C@H](c2ccc(C(=O)Nc3ccccc3N)cc2)C(C)C)cc1OC.C[C@@H](c1ccc(C(=O)Nc2ccccc2N)cc1)N(CCOCCN1CCOCC1)C(=O)OCc1cccnc1.C[C@H](OC(=O)N(CCOCCN1CCOCC1)[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1.Nc1ccccc1NC(=O)c1ccc(CN(CCOCCN2CCOCC2)C(=O)O[C@@H](c2ccccc2)c2cccnc2)cc1.Nc1ccccc1NC(=O)c1ccc(CN(CCOCCN2CCOCC2)C(=O)O[C@@H](c2ccccc2)c2cccnc2)cc1.Nc1ccccc1NC(=O)c1ccc([C@H](c2ccccc2)N(CCOCCN2CCOCC2)C(=O)OCc2cccnc2)cc1
InChIInChI=1S/C38H44N4O7.C36H41N5O5.3C35H39N5O5.C35H46N4O7.C31H39N5O5.C30H37N5O5/c1-45-34-17-12-28(26-35(34)46-2)27-49-38(44)42(21-25-48-24-20-41-18-22-47-23-19-41)36(29-8-4-3-5-9-29)30-13-15-31(16-14-30)37(43)40-33-11-7-6-10-32(33)39;1-27(31-10-7-17-38-26-31)46-36(43)41(21-25-45-24-20-40-18-22-44-23-19-40)34(28-8-3-2-4-9-28)29-13-15-30(16-14-29)35(42)39-33-12-6-5-11-32(33)37;36-31-10-4-5-11-32(31)38-34(41)30-14-12-29(13-15-30)33(28-8-2-1-3-9-28)40(35(42)45-26-27-7-6-16-37-25-27)20-24-44-23-19-39-17-21-43-22-18-39;2*36-31-10-4-5-11-32(31)38-34(41)29-14-12-27(13-15-29)26-40(20-24-44-23-19-39-17-21-43-22-18-39)35(42)45-33(28-7-2-1-3-8-28)30-9-6-16-37-25-30;1-25(2)33(27-10-12-28(13-11-27)34(40)37-30-8-6-5-7-29(30)36)39(18-22-45-21-17-38-15-19-44-20-16-38)35(41)46-24-26-9-14-31(42-3)32(23-26)43-4;1-2-29(25-9-11-26(12-10-25)30(37)34-28-8-4-3-7-27(28)32)36(31(38)41-23-24-6-5-13-33-22-24)17-21-40-20-16-35-14-18-39-19-15-35;1-23(25-8-10-26(11-9-25)29(36)33-28-7-3-2-6-27(28)31)35(30(37)40-22-24-5-4-12-32-21-24)16-20-39-19-15-34-13-17-38-18-14-34/h3-17,26,36H,18-25,27,39H2,1-2H3,(H,40,43);2-17,26-27,34H,18-25,37H2,1H3,(H,39,42);3*1-16,25,33H,17-24,26,36H2,(H,38,41);5-14,23,25,33H,15-22,24,36H2,1-4H3,(H,37,40);3-13,22,29H,2,14-21,23,32H2,1H3,(H,34,37);2-12,21,23H,13-20,22,31H2,1H3,(H,33,36)/t36-;27-,34-;4*33-;29-;23-/m00000000/s1
InChIKeyLVSPTFVADCIMQY-FXAGOECLSA-N
XLogP39.69
TPSA965.14 Ų
H-Bond Donors16
H-Bond Acceptors66
Rotatable Bonds107
Heavy Atoms357
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004865.84
LogP ≤ 539.69
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1066

Analyze (3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-methylpropyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;(3,4-dimethoxyphenyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;bis([(S)-phenyl(pyridin-3-yl)methyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-methylpropyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;(3,4-dimethoxyphenyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;bis([(S)-phenyl(pyridin-3-yl)methyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate?
The IUPAC name of (3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-methylpropyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;(3,4-dimethoxyphenyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;bis([(S)-phenyl(pyridin-3-yl)methyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate (CID 159470442) is (3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-methylpropyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;(3,4-dimethoxyphenyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;bis([(S)-phenyl(pyridin-3-yl)methyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate.
What is the SMILES notation for (3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-methylpropyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;(3,4-dimethoxyphenyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;bis([(S)-phenyl(pyridin-3-yl)methyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate?
The canonical SMILES for (3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-methylpropyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;(3,4-dimethoxyphenyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;bis([(S)-phenyl(pyridin-3-yl)methyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate is CC[C@@H](c1ccc(C(=O)Nc2ccccc2N)cc1)N(CCOCCN1CCOCC1)C(=O)OCc1cccnc1.COc1ccc(COC(=O)N(CCOCCN2CCOCC2)[C@@H](c2ccccc2)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1OC.COc1ccc(COC(=O)N(CCOCCN2CCOCC2)[C@H](c2ccc(C(=O)Nc3ccccc3N)cc2)C(C)C)cc1OC.C[C@@H](c1ccc(C(=O)Nc2ccccc2N)cc1)N(CCOCCN1CCOCC1)C(=O)OCc1cccnc1.C[C@H](OC(=O)N(CCOCCN1CCOCC1)[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1.Nc1ccccc1NC(=O)c1ccc(CN(CCOCCN2CCOCC2)C(=O)O[C@@H](c2ccccc2)c2cccnc2)cc1.Nc1ccccc1NC(=O)c1ccc(CN(CCOCCN2CCOCC2)C(=O)O[C@@H](c2ccccc2)c2cccnc2)cc1.Nc1ccccc1NC(=O)c1ccc([C@H](c2ccccc2)N(CCOCCN2CCOCC2)C(=O)OCc2cccnc2)cc1.
What is the InChIKey of (3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-methylpropyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;(3,4-dimethoxyphenyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;bis([(S)-phenyl(pyridin-3-yl)methyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate?
The InChIKey is LVSPTFVADCIMQY-FXAGOECLSA-N. The full InChI is InChI=1S/C38H44N4O7.C36H41N5O5.3C35H39N5O5.C35H46N4O7.C31H39N5O5.C30H37N5O5/c1-45-34-17-12-28(26-35(34)46-2)27-49-38(44)42(21-25-48-24-20-41-18-22-47-23-19-41)36(29-8-4-3-5-9-29)30-13-15-31(16-14-30)37(43)40-33-11-7-6-10-32(33)39;1-27(31-10-7-17-38-26-31)46-36(43)41(21-25-45-24-20-40-18-22-44-23-19-40)34(28-8-3-2-4-9-28)29-13-15-30(16-14-29)35(42)39-33-12-6-5-11-32(33)37;36-31-10-4-5-11-32(31)38-34(41)30-14-12-29(13-15-30)33(28-8-2-1-3-9-28)40(35(42)45-26-27-7-6-16-37-25-27)20-24-44-23-19-39-17-21-43-22-18-39;2*36-31-10-4-5-11-32(31)38-34(41)29-14-12-27(13-15-29)26-40(20-24-44-23-19-39-17-21-43-22-18-39)35(42)45-33(28-7-2-1-3-8-28)30-9-6-16-37-25-30;1-25(2)33(27-10-12-28(13-11-27)34(40)37-30-8-6-5-7-29(30)36)39(18-22-45-21-17-38-15-19-44-20-16-38)35(41)46-24-26-9-14-31(42-3)32(23-26)43-4;1-2-29(25-9-11-26(12-10-25)30(37)34-28-8-4-3-7-27(28)32)36(31(38)41-23-24-6-5-13-33-22-24)17-21-40-20-16-35-14-18-39-19-15-35;1-23(25-8-10-26(11-9-25)29(36)33-28-7-3-2-6-27(28)31)35(30(37)40-22-24-5-4-12-32-21-24)16-20-39-19-15-34-13-17-38-18-14-34/h3-17,26,36H,18-25,27,39H2,1-2H3,(H,40,43);2-17,26-27,34H,18-25,37H2,1H3,(H,39,42);3*1-16,25,33H,17-24,26,36H2,(H,38,41);5-14,23,25,33H,15-22,24,36H2,1-4H3,(H,37,40);3-13,22,29H,2,14-21,23,32H2,1H3,(H,34,37);2-12,21,23H,13-20,22,31H2,1H3,(H,33,36)/t36-;27-,34-;4*33-;29-;23-/m00000000/s1.
What are the key properties of (3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-methylpropyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;(3,4-dimethoxyphenyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;bis([(S)-phenyl(pyridin-3-yl)methyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate?
(3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-methylpropyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;(3,4-dimethoxyphenyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;bis([(S)-phenyl(pyridin-3-yl)methyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate has a molecular weight of 4865.84 g/mol, XLogP of 39.69, 107 rotatable bonds, 16 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)methyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]-2-methylpropyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;(3,4-dimethoxyphenyl)methyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;bis([(S)-phenyl(pyridin-3-yl)methyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate;pyridin-3-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate is sourced from PubChem (CID 159470442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).