[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate

C159H163N17O25 — CID 159258477

IUPAC[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate
SMILESCCC[C@@H](NC(=O)OCc1ccc(C(=O)Nc2ccccc2O)cc1)c1ccc(CC)cc1.CCC[C@@H](OC(=O)NCc1ccc(C(=O)Nc2ccccc2O)cc1)c1ccc(OCCN(C)C)cc1.CC[C@H](NC(=O)O[C@@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cccnc1.CC[C@H](OC(=O)N[C@@H](c1ccccc1)c1cccnc1)c1ccc(C(=O)Nc2ccccc2O)cc1.C[C@H](NC(=O)O[C@@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cccnc1.O=C(NCc1cccnc1)O[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C29H35N3O5.C29H27N3O4.C27H23N3O4.C27H30N2O4.C24H25N3O4.C23H23N3O4/c1-4-7-27(22-14-16-24(17-15-22)36-19-18-32(2)3)37-29(35)30-20-21-10-12-23(13-11-21)28(34)31-25-8-5-6-9-26(25)33;1-2-26(20-14-16-22(17-15-20)28(34)31-24-12-6-7-13-25(24)33)36-29(35)32-27(21-9-4-3-5-10-21)23-11-8-18-30-19-23;31-24-11-5-4-10-23(24)30-26(32)22-14-12-21(13-15-22)25(20-8-2-1-3-9-20)34-27(33)29-18-19-7-6-16-28-17-19;1-3-7-23(21-14-10-19(4-2)11-15-21)29-27(32)33-18-20-12-16-22(17-13-20)26(31)28-24-8-5-6-9-25(24)30;1-3-20(19-7-6-14-25-15-19)27-24(30)31-16(2)17-10-12-18(13-11-17)23(29)26-21-8-4-5-9-22(21)28;1-15(19-6-5-13-24-14-19)25-23(29)30-16(2)17-9-11-18(12-10-17)22(28)26-20-7-3-4-8-21(20)27/h5-6,8-17,27,33H,4,7,18-20H2,1-3H3,(H,30,35)(H,31,34);3-19,26-27,33H,2H2,1H3,(H,31,34)(H,32,35);1-17,25,31H,18H2,(H,29,33)(H,30,32);5-6,8-17,23,30H,3-4,7,18H2,1-2H3,(H,28,31)(H,29,32);4-16,20,28H,3H2,1-2H3,(H,26,29)(H,27,30);3-16,27H,1-2H3,(H,25,29)(H,26,28)/t27-;26-,27-;25-;23-;16-,20-;15-,16-/m100100/s1
InChIKeyKWEYOOVXADBDGB-MCWDQAJXSA-N
MW2712.15 g/mol
LogP31.95
Rot. Bonds49

About [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate

[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate (PubChem CID 159258477) has the molecular formula C159H163N17O25 and a molecular weight of 2712.15 g/mol. Its IUPAC name is [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate.

Molecular Properties

Compound Name[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate
PubChem CID159258477
Molecular FormulaC159H163N17O25
Molecular Weight2712.15 g/mol
Exact Mass2710.20
IUPAC Name[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate
SMILESCCC[C@@H](NC(=O)OCc1ccc(C(=O)Nc2ccccc2O)cc1)c1ccc(CC)cc1.CCC[C@@H](OC(=O)NCc1ccc(C(=O)Nc2ccccc2O)cc1)c1ccc(OCCN(C)C)cc1.CC[C@H](NC(=O)O[C@@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cccnc1.CC[C@H](OC(=O)N[C@@H](c1ccccc1)c1cccnc1)c1ccc(C(=O)Nc2ccccc2O)cc1.C[C@H](NC(=O)O[C@@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cccnc1.O=C(NCc1cccnc1)O[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C29H35N3O5.C29H27N3O4.C27H23N3O4.C27H30N2O4.C24H25N3O4.C23H23N3O4/c1-4-7-27(22-14-16-24(17-15-22)36-19-18-32(2)3)37-29(35)30-20-21-10-12-23(13-11-21)28(34)31-25-8-5-6-9-26(25)33;1-2-26(20-14-16-22(17-15-20)28(34)31-24-12-6-7-13-25(24)33)36-29(35)32-27(21-9-4-3-5-10-21)23-11-8-18-30-19-23;31-24-11-5-4-10-23(24)30-26(32)22-14-12-21(13-15-22)25(20-8-2-1-3-9-20)34-27(33)29-18-19-7-6-16-28-17-19;1-3-7-23(21-14-10-19(4-2)11-15-21)29-27(32)33-18-20-12-16-22(17-13-20)26(31)28-24-8-5-6-9-25(24)30;1-3-20(19-7-6-14-25-15-19)27-24(30)31-16(2)17-10-12-18(13-11-17)23(29)26-21-8-4-5-9-22(21)28;1-15(19-6-5-13-24-14-19)25-23(29)30-16(2)17-9-11-18(12-10-17)22(28)26-20-7-3-4-8-21(20)27/h5-6,8-17,27,33H,4,7,18-20H2,1-3H3,(H,30,35)(H,31,34);3-19,26-27,33H,2H2,1H3,(H,31,34)(H,32,35);1-17,25,31H,18H2,(H,29,33)(H,30,32);5-6,8-17,23,30H,3-4,7,18H2,1-2H3,(H,28,31)(H,29,32);4-16,20,28H,3H2,1-2H3,(H,26,29)(H,27,30);3-16,27H,1-2H3,(H,25,29)(H,26,28)/t27-;26-,27-;25-;23-;16-,20-;15-,16-/m100100/s1
InChIKeyKWEYOOVXADBDGB-MCWDQAJXSA-N
XLogP31.95
TPSA589.99 Ų
H-Bond Donors18
H-Bond Acceptors30
Rotatable Bonds49
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002712.15
LogP ≤ 531.95
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;methyl 4-[2-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxymethyl]benzoate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl]carbamate
CID 157318561
[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;[(1R)-1-(4-ethylphenyl)butyl] N-[[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[(1R)-3,3,3-trifluoro-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;methyl 4-[(1S)-1-[2-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propan-2-ylcarbamoyloxy]butyl]benzoate;[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]propyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]ethyl]carbamate;pyridin-3-ylmethyl N-[(S)-phenyl-[4-[(2-sulfanylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 159047477
tert-butyl N-[3-[4-[(E)-8-[1-[[3-(3-aminopropanoylamino)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]pyridin-1-ium-3-yl]-6-oxooct-7-enyl]piperidine-1-carbonyl]phenyl]carbamate;[(2R,3R,4S,5S,6R)-4,5-diacetyloxy-6-[2-(butanoylamino)-4-[[3-[(E)-8-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]piperidin-4-yl]-3-oxooct-1-enyl]pyridin-1-ium-1-yl]methyl]phenoxy]-2-ethyloxan-3-yl] acetate;bis(2,2,2-trifluoroacetate)
CID 161702074
tetrakis(N,N-dimethylformamide);bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);4-[[26,27,28-tris[(4-carboxyphenyl)methoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxymethyl]benzoic acid
CID 139146468
[4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate
CID 25155692
[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate
CID 59544829
2-[[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]pyridine-3-carbonyl]amino]ethyl 4-[[3-[(S)-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxycarbonylamino]-phenylmethyl]phenoxy]methyl]benzoate
CID 90203491
[6-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-3-pyridinyl]methyl 4-[[3-[(S)-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxycarbonylamino]-phenylmethyl]phenoxy]methyl]benzoate
CID 90211954
2-[[6-[[[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]pyridine-3-carbonyl]amino]ethyl 4-[[3-[[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxycarbonylamino]-phenylmethyl]phenoxy]methyl]benzoate
CID 117947304
2-[[6-[[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]pyridine-3-carbonyl]amino]ethyl 4-[[3-[(S)-(1-azabicyclo[2.2.2]octan-3-yloxycarbonylamino)-phenylmethyl]phenoxy]methyl]benzoate
CID 117947305
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[[3-[[4-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-methylquinolin-5-yl)ethyl]amino]butylcarbamoyl]phenyl]methoxy]phenyl]-phenylmethyl]carbamate
CID 123269961
2-[[6-[[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]pyridine-3-carbonyl]amino]ethyl 4-[[3-[(1-azabicyclo[2.2.2]octan-3-yloxycarbonylamino)-phenylmethyl]phenoxy]methyl]benzoate
CID 123970895

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate?
The IUPAC name of [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate (CID 159258477) is [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate.
What is the SMILES notation for [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate?
The canonical SMILES for [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate is CCC[C@@H](NC(=O)OCc1ccc(C(=O)Nc2ccccc2O)cc1)c1ccc(CC)cc1.CCC[C@@H](OC(=O)NCc1ccc(C(=O)Nc2ccccc2O)cc1)c1ccc(OCCN(C)C)cc1.CC[C@H](NC(=O)O[C@@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cccnc1.CC[C@H](OC(=O)N[C@@H](c1ccccc1)c1cccnc1)c1ccc(C(=O)Nc2ccccc2O)cc1.C[C@H](NC(=O)O[C@@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cccnc1.O=C(NCc1cccnc1)O[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2O)cc1.
What is the InChIKey of [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate?
The InChIKey is KWEYOOVXADBDGB-MCWDQAJXSA-N. The full InChI is InChI=1S/C29H35N3O5.C29H27N3O4.C27H23N3O4.C27H30N2O4.C24H25N3O4.C23H23N3O4/c1-4-7-27(22-14-16-24(17-15-22)36-19-18-32(2)3)37-29(35)30-20-21-10-12-23(13-11-21)28(34)31-25-8-5-6-9-26(25)33;1-2-26(20-14-16-22(17-15-20)28(34)31-24-12-6-7-13-25(24)33)36-29(35)32-27(21-9-4-3-5-10-21)23-11-8-18-30-19-23;31-24-11-5-4-10-23(24)30-26(32)22-14-12-21(13-15-22)25(20-8-2-1-3-9-20)34-27(33)29-18-19-7-6-16-28-17-19;1-3-7-23(21-14-10-19(4-2)11-15-21)29-27(32)33-18-20-12-16-22(17-13-20)26(31)28-24-8-5-6-9-25(24)30;1-3-20(19-7-6-14-25-15-19)27-24(30)31-16(2)17-10-12-18(13-11-17)23(29)26-21-8-4-5-9-22(21)28;1-15(19-6-5-13-24-14-19)25-23(29)30-16(2)17-9-11-18(12-10-17)22(28)26-20-7-3-4-8-21(20)27/h5-6,8-17,27,33H,4,7,18-20H2,1-3H3,(H,30,35)(H,31,34);3-19,26-27,33H,2H2,1H3,(H,31,34)(H,32,35);1-17,25,31H,18H2,(H,29,33)(H,30,32);5-6,8-17,23,30H,3-4,7,18H2,1-2H3,(H,28,31)(H,29,32);4-16,20,28H,3H2,1-2H3,(H,26,29)(H,27,30);3-16,27H,1-2H3,(H,25,29)(H,26,28)/t27-;26-,27-;25-;23-;16-,20-;15-,16-/m100100/s1.
What are the key properties of [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate?
[(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate has a molecular weight of 2712.15 g/mol, XLogP of 31.95, 49 rotatable bonds, 18 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]butyl] N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylethyl]carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-pyridin-3-ylpropyl]carbamate;[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl N-[(1R)-1-(4-ethylphenyl)butyl]carbamate;[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-(pyridin-3-ylmethyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate is sourced from PubChem (CID 159258477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).