[4-[2-[1-[4-(cyclopentanecarbonylamino)phenyl]ethenylamino]ethyl]phenyl] 4-heptoxybenzoate;2-[2-[4-(4-heptoxybenzoyl)oxyphenyl]ethyl-(4-methoxybenzoyl)amino]acetic acid;2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-(4-methoxybenzoyl)amino]acetic acid;[4-[[2-hydroxyprop-2-enyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-heptoxybenzoate;2-[[4-[4-(methanesulfonamido)benzoyl]oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid;[4-[[(4-methoxybenzoyl)-(2-oxobutyl)amino]methyl]phenyl] 4-heptoxybenzoate

C197H223N9O39S — CID 158367913

IUPAC[4-[2-[1-[4-(cyclopentanecarbonylamino)phenyl]ethenylamino]ethyl]phenyl] 4-heptoxybenzoate;2-[2-[4-(4-heptoxybenzoyl)oxyphenyl]ethyl-(4-methoxybenzoyl)amino]acetic acid;2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-(4-methoxybenzoyl)amino]acetic acid;[4-[[2-hydroxyprop-2-enyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-heptoxybenzoate;2-[[4-[4-(methanesulfonamido)benzoyl]oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid;[4-[[(4-methoxybenzoyl)-(2-oxobutyl)amino]methyl]phenyl] 4-heptoxybenzoate
SMILESC=C(NCCc1ccc(OC(=O)c2ccc(OCCCCCCC)cc2)cc1)c1ccc(NC(=O)C2CCCC2)cc1.C=C(O)CN(Cc1ccc(OC(=O)c2ccc(OCCCCCCC)cc2)cc1)C(=O)c1ccc(OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CCN(CC(=O)O)C(=O)c3ccc(OC)cc3)cc2)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CN(CC(=O)CC)C(=O)c3ccc(OC)cc3)cc2)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CN(CC(=O)O)C(=O)c3ccc(OC)cc3)cc2)cc1.COc1ccc(CC(=O)Nc2ccc(C(=O)N(CC(=O)O)Cc3ccc(OC(=O)c4ccc(NS(C)(=O)=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H44N2O4.C33H31N3O9S.C33H39NO6.C32H37NO7.C32H37NO6.C31H35NO7/c1-3-4-5-6-9-26-41-33-22-16-31(17-23-33)36(40)42-34-20-12-28(13-21-34)24-25-37-27(2)29-14-18-32(19-15-29)38-35(39)30-10-7-8-11-30;1-44-28-15-3-22(4-16-28)19-30(37)34-26-11-7-24(8-12-26)32(40)36(21-31(38)39)20-23-5-17-29(18-6-23)45-33(41)25-9-13-27(14-10-25)35-46(2,42)43;1-4-6-7-8-9-22-39-30-20-14-27(15-21-30)33(37)40-31-16-10-25(11-17-31)23-34(24-28(35)5-2)32(36)26-12-18-29(38-3)19-13-26;1-3-4-5-6-7-22-39-28-18-12-26(13-19-28)32(37)40-29-14-8-24(9-15-29)20-21-33(23-30(34)35)31(36)25-10-16-27(38-2)17-11-25;1-4-5-6-7-8-21-38-29-19-13-27(14-20-29)32(36)39-30-15-9-25(10-16-30)23-33(22-24(2)34)31(35)26-11-17-28(37-3)18-12-26;1-3-4-5-6-7-20-38-27-18-12-25(13-19-27)31(36)39-28-14-8-23(9-15-28)21-32(22-29(33)34)30(35)24-10-16-26(37-2)17-11-24/h12-23,30,37H,2-11,24-26H2,1H3,(H,38,39);3-18,35H,19-21H2,1-2H3,(H,34,37)(H,38,39);10-21H,4-9,22-24H2,1-3H3;8-19H,3-7,20-23H2,1-2H3,(H,34,35);9-20,34H,2,4-8,21-23H2,1,3H3;8-19H,3-7,20-22H2,1-2H3,(H,33,34)
InChIKeyGUGJKNJGFXAIHK-UHFFFAOYSA-N
MW3373.04 g/mol
LogP38.27
Rot. Bonds91

About [4-[2-[1-[4-(cyclopentanecarbonylamino)phenyl]ethenylamino]ethyl]phenyl] 4-heptoxybenzoate;2-[2-[4-(4-heptoxybenzoyl)oxyphenyl]ethyl-(4-methoxybenzoyl)amino]acetic acid;2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-(4-methoxybenzoyl)amino]acetic acid;[4-[[2-hydroxyprop-2-enyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-heptoxybenzoate;2-[[4-[4-(methanesulfonamido)benzoyl]oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid;[4-[[(4-methoxybenzoyl)-(2-oxobutyl)amino]methyl]phenyl] 4-heptoxybenzoate

[4-[2-[1-[4-(cyclopentanecarbonylamino)phenyl]ethenylamino]ethyl]phenyl] 4-heptoxybenzoate;2-[2-[4-(4-heptoxybenzoyl)oxyphenyl]ethyl-(4-methoxybenzoyl)amino]acetic acid;2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-(4-methoxybenzoyl)amino]acetic acid;[4-[[2-hydroxyprop-2-enyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-heptoxybenzoate;2-[[4-[4-(methanesulfonamido)benzoyl]oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid;[4-[[(4-methoxybenzoyl)-(2-oxobutyl)amino]methyl]phenyl] 4-heptoxybenzoate (PubChem CID 158367913) has the molecular formula C197H223N9O39S and a molecular weight of 3373.04 g/mol. Its IUPAC name is [4-[2-[1-[4-(cyclopentanecarbonylamino)phenyl]ethenylamino]ethyl]phenyl] 4-heptoxybenzoate;2-[2-[4-(4-heptoxybenzoyl)oxyphenyl]ethyl-(4-methoxybenzoyl)amino]acetic acid;2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-(4-methoxybenzoyl)amino]acetic acid;[4-[[2-hydroxyprop-2-enyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-heptoxybenzoate;2-[[4-[4-(methanesulfonamido)benzoyl]oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid;[4-[[(4-methoxybenzoyl)-(2-oxobutyl)amino]methyl]phenyl] 4-heptoxybenzoate.

Molecular Properties

Compound Name[4-[2-[1-[4-(cyclopentanecarbonylamino)phenyl]ethenylamino]ethyl]phenyl] 4-heptoxybenzoate;2-[2-[4-(4-heptoxybenzoyl)oxyphenyl]ethyl-(4-methoxybenzoyl)amino]acetic acid;2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-(4-methoxybenzoyl)amino]acetic acid;[4-[[2-hydroxyprop-2-enyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-heptoxybenzoate;2-[[4-[4-(methanesulfonamido)benzoyl]oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid;[4-[[(4-methoxybenzoyl)-(2-oxobutyl)amino]methyl]phenyl] 4-heptoxybenzoate
PubChem CID158367913
Molecular FormulaC197H223N9O39S
Molecular Weight3373.04 g/mol
Exact Mass3370.55
IUPAC Name[4-[2-[1-[4-(cyclopentanecarbonylamino)phenyl]ethenylamino]ethyl]phenyl] 4-heptoxybenzoate;2-[2-[4-(4-heptoxybenzoyl)oxyphenyl]ethyl-(4-methoxybenzoyl)amino]acetic acid;2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-(4-methoxybenzoyl)amino]acetic acid;[4-[[2-hydroxyprop-2-enyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-heptoxybenzoate;2-[[4-[4-(methanesulfonamido)benzoyl]oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid;[4-[[(4-methoxybenzoyl)-(2-oxobutyl)amino]methyl]phenyl] 4-heptoxybenzoate
SMILESC=C(NCCc1ccc(OC(=O)c2ccc(OCCCCCCC)cc2)cc1)c1ccc(NC(=O)C2CCCC2)cc1.C=C(O)CN(Cc1ccc(OC(=O)c2ccc(OCCCCCCC)cc2)cc1)C(=O)c1ccc(OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CCN(CC(=O)O)C(=O)c3ccc(OC)cc3)cc2)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CN(CC(=O)CC)C(=O)c3ccc(OC)cc3)cc2)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CN(CC(=O)O)C(=O)c3ccc(OC)cc3)cc2)cc1.COc1ccc(CC(=O)Nc2ccc(C(=O)N(CC(=O)O)Cc3ccc(OC(=O)c4ccc(NS(C)(=O)=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H44N2O4.C33H31N3O9S.C33H39NO6.C32H37NO7.C32H37NO6.C31H35NO7/c1-3-4-5-6-9-26-41-33-22-16-31(17-23-33)36(40)42-34-20-12-28(13-21-34)24-25-37-27(2)29-14-18-32(19-15-29)38-35(39)30-10-7-8-11-30;1-44-28-15-3-22(4-16-28)19-30(37)34-26-11-7-24(8-12-26)32(40)36(21-31(38)39)20-23-5-17-29(18-6-23)45-33(41)25-9-13-27(14-10-25)35-46(2,42)43;1-4-6-7-8-9-22-39-30-20-14-27(15-21-30)33(37)40-31-16-10-25(11-17-31)23-34(24-28(35)5-2)32(36)26-12-18-29(38-3)19-13-26;1-3-4-5-6-7-22-39-28-18-12-26(13-19-28)32(37)40-29-14-8-24(9-15-29)20-21-33(23-30(34)35)31(36)25-10-16-27(38-2)17-11-25;1-4-5-6-7-8-21-38-29-19-13-27(14-20-29)32(36)39-30-15-9-25(10-16-30)23-33(22-24(2)34)31(35)26-11-17-28(37-3)18-12-26;1-3-4-5-6-7-20-38-27-18-12-25(13-19-27)31(36)39-28-14-8-23(9-15-28)21-32(22-29(33)34)30(35)24-10-16-26(37-2)17-11-24/h12-23,30,37H,2-11,24-26H2,1H3,(H,38,39);3-18,35H,19-21H2,1-2H3,(H,34,37)(H,38,39);10-21H,4-9,22-24H2,1-3H3;8-19H,3-7,20-23H2,1-2H3,(H,34,35);9-20,34H,2,4-8,21-23H2,1,3H3;8-19H,3-7,20-22H2,1-2H3,(H,33,34)
InChIKeyGUGJKNJGFXAIHK-UHFFFAOYSA-N
XLogP38.27
TPSA617.25 Ų
H-Bond Donors8
H-Bond Acceptors37
Rotatable Bonds91
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003373.04
LogP ≤ 538.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[2-[1-[4-(cyclopentanecarbonylamino)phenyl]ethenylamino]ethyl]phenyl] 4-heptoxybenzoate;2-[2-[4-(4-heptoxybenzoyl)oxyphenyl]ethyl-(4-methoxybenzoyl)amino]acetic acid;2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-(4-methoxybenzoyl)amino]acetic acid;[4-[[2-hydroxyprop-2-enyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-heptoxybenzoate;2-[[4-[4-(methanesulfonamido)benzoyl]oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid;[4-[[(4-methoxybenzoyl)-(2-oxobutyl)amino]methyl]phenyl] 4-heptoxybenzoate 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

2-[[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]-[[4-(4-nonoxybenzoyl)oxyphenyl]methyl]amino]acetic acid
CID 71488647
2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-[4-[(4-methoxyphenoxy)carbonylamino]benzoyl]amino]acetic acid
CID 89285069
2-[[4-[[2-[4-(dimethylamino)phenyl]acetyl]amino]benzoyl]-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl]amino]acetic acid
CID 89285168
2-[[4-(4-ethoxybenzoyl)oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
CID 89284788
2-[[4-(2,3-dihydrofuran-2-carbonylamino)benzoyl]-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl]amino]acetic acid
CID 89285012
2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-[4-[[2-[2-methoxy-4-(trifluoromethoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid
CID 89284779
2-[(4-benzoyloxyphenyl)methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
CID 71488717
2-[[2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-(4-methoxybenzoyl)amino]acetyl]amino]acetic acid
CID 71488904
[4-[[[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl] 4-heptoxybenzoate
CID 130210156
2-[[4-(3-chloro-4-ethoxybenzoyl)oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid;2-[[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]-[[4-(4-octylbenzoyl)oxyphenyl]methyl]amino]acetic acid;2-[[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]-[[4-(4-propan-2-yloxybenzoyl)oxyphenyl]methyl]amino]acetic acid
CID 160630602
2-[[4-(3,5-dichloro-4-propoxybenzoyl)oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
CID 71488792
2-[[4-(4-heptoxybenzoyl)oxy-3-methoxyphenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid
CID 89284817

Frequently Asked Questions

What is the IUPAC name of [4-[2-[1-[4-(cyclopentanecarbonylamino)phenyl]ethenylamino]ethyl]phenyl] 4-heptoxybenzoate;2-[2-[4-(4-heptoxybenzoyl)oxyphenyl]ethyl-(4-methoxybenzoyl)amino]acetic acid;2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-(4-methoxybenzoyl)amino]acetic acid;[4-[[2-hydroxyprop-2-enyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-heptoxybenzoate;2-[[4-[4-(methanesulfonamido)benzoyl]oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid;[4-[[(4-methoxybenzoyl)-(2-oxobutyl)amino]methyl]phenyl] 4-heptoxybenzoate?
The IUPAC name of [4-[2-[1-[4-(cyclopentanecarbonylamino)phenyl]ethenylamino]ethyl]phenyl] 4-heptoxybenzoate;2-[2-[4-(4-heptoxybenzoyl)oxyphenyl]ethyl-(4-methoxybenzoyl)amino]acetic acid;2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-(4-methoxybenzoyl)amino]acetic acid;[4-[[2-hydroxyprop-2-enyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-heptoxybenzoate;2-[[4-[4-(methanesulfonamido)benzoyl]oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid;[4-[[(4-methoxybenzoyl)-(2-oxobutyl)amino]methyl]phenyl] 4-heptoxybenzoate (CID 158367913) is [4-[2-[1-[4-(cyclopentanecarbonylamino)phenyl]ethenylamino]ethyl]phenyl] 4-heptoxybenzoate;2-[2-[4-(4-heptoxybenzoyl)oxyphenyl]ethyl-(4-methoxybenzoyl)amino]acetic acid;2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-(4-methoxybenzoyl)amino]acetic acid;[4-[[2-hydroxyprop-2-enyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-heptoxybenzoate;2-[[4-[4-(methanesulfonamido)benzoyl]oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid;[4-[[(4-methoxybenzoyl)-(2-oxobutyl)amino]methyl]phenyl] 4-heptoxybenzoate.
What is the SMILES notation for [4-[2-[1-[4-(cyclopentanecarbonylamino)phenyl]ethenylamino]ethyl]phenyl] 4-heptoxybenzoate;2-[2-[4-(4-heptoxybenzoyl)oxyphenyl]ethyl-(4-methoxybenzoyl)amino]acetic acid;2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-(4-methoxybenzoyl)amino]acetic acid;[4-[[2-hydroxyprop-2-enyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-heptoxybenzoate;2-[[4-[4-(methanesulfonamido)benzoyl]oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid;[4-[[(4-methoxybenzoyl)-(2-oxobutyl)amino]methyl]phenyl] 4-heptoxybenzoate?
The canonical SMILES for [4-[2-[1-[4-(cyclopentanecarbonylamino)phenyl]ethenylamino]ethyl]phenyl] 4-heptoxybenzoate;2-[2-[4-(4-heptoxybenzoyl)oxyphenyl]ethyl-(4-methoxybenzoyl)amino]acetic acid;2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-(4-methoxybenzoyl)amino]acetic acid;[4-[[2-hydroxyprop-2-enyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-heptoxybenzoate;2-[[4-[4-(methanesulfonamido)benzoyl]oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid;[4-[[(4-methoxybenzoyl)-(2-oxobutyl)amino]methyl]phenyl] 4-heptoxybenzoate is C=C(NCCc1ccc(OC(=O)c2ccc(OCCCCCCC)cc2)cc1)c1ccc(NC(=O)C2CCCC2)cc1.C=C(O)CN(Cc1ccc(OC(=O)c2ccc(OCCCCCCC)cc2)cc1)C(=O)c1ccc(OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CCN(CC(=O)O)C(=O)c3ccc(OC)cc3)cc2)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CN(CC(=O)CC)C(=O)c3ccc(OC)cc3)cc2)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CN(CC(=O)O)C(=O)c3ccc(OC)cc3)cc2)cc1.COc1ccc(CC(=O)Nc2ccc(C(=O)N(CC(=O)O)Cc3ccc(OC(=O)c4ccc(NS(C)(=O)=O)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[2-[1-[4-(cyclopentanecarbonylamino)phenyl]ethenylamino]ethyl]phenyl] 4-heptoxybenzoate;2-[2-[4-(4-heptoxybenzoyl)oxyphenyl]ethyl-(4-methoxybenzoyl)amino]acetic acid;2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-(4-methoxybenzoyl)amino]acetic acid;[4-[[2-hydroxyprop-2-enyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-heptoxybenzoate;2-[[4-[4-(methanesulfonamido)benzoyl]oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid;[4-[[(4-methoxybenzoyl)-(2-oxobutyl)amino]methyl]phenyl] 4-heptoxybenzoate?
The InChIKey is GUGJKNJGFXAIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N2O4.C33H31N3O9S.C33H39NO6.C32H37NO7.C32H37NO6.C31H35NO7/c1-3-4-5-6-9-26-41-33-22-16-31(17-23-33)36(40)42-34-20-12-28(13-21-34)24-25-37-27(2)29-14-18-32(19-15-29)38-35(39)30-10-7-8-11-30;1-44-28-15-3-22(4-16-28)19-30(37)34-26-11-7-24(8-12-26)32(40)36(21-31(38)39)20-23-5-17-29(18-6-23)45-33(41)25-9-13-27(14-10-25)35-46(2,42)43;1-4-6-7-8-9-22-39-30-20-14-27(15-21-30)33(37)40-31-16-10-25(11-17-31)23-34(24-28(35)5-2)32(36)26-12-18-29(38-3)19-13-26;1-3-4-5-6-7-22-39-28-18-12-26(13-19-28)32(37)40-29-14-8-24(9-15-29)20-21-33(23-30(34)35)31(36)25-10-16-27(38-2)17-11-25;1-4-5-6-7-8-21-38-29-19-13-27(14-20-29)32(36)39-30-15-9-25(10-16-30)23-33(22-24(2)34)31(35)26-11-17-28(37-3)18-12-26;1-3-4-5-6-7-20-38-27-18-12-25(13-19-27)31(36)39-28-14-8-23(9-15-28)21-32(22-29(33)34)30(35)24-10-16-26(37-2)17-11-24/h12-23,30,37H,2-11,24-26H2,1H3,(H,38,39);3-18,35H,19-21H2,1-2H3,(H,34,37)(H,38,39);10-21H,4-9,22-24H2,1-3H3;8-19H,3-7,20-23H2,1-2H3,(H,34,35);9-20,34H,2,4-8,21-23H2,1,3H3;8-19H,3-7,20-22H2,1-2H3,(H,33,34).
What are the key properties of [4-[2-[1-[4-(cyclopentanecarbonylamino)phenyl]ethenylamino]ethyl]phenyl] 4-heptoxybenzoate;2-[2-[4-(4-heptoxybenzoyl)oxyphenyl]ethyl-(4-methoxybenzoyl)amino]acetic acid;2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-(4-methoxybenzoyl)amino]acetic acid;[4-[[2-hydroxyprop-2-enyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-heptoxybenzoate;2-[[4-[4-(methanesulfonamido)benzoyl]oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid;[4-[[(4-methoxybenzoyl)-(2-oxobutyl)amino]methyl]phenyl] 4-heptoxybenzoate?
[4-[2-[1-[4-(cyclopentanecarbonylamino)phenyl]ethenylamino]ethyl]phenyl] 4-heptoxybenzoate;2-[2-[4-(4-heptoxybenzoyl)oxyphenyl]ethyl-(4-methoxybenzoyl)amino]acetic acid;2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-(4-methoxybenzoyl)amino]acetic acid;[4-[[2-hydroxyprop-2-enyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-heptoxybenzoate;2-[[4-[4-(methanesulfonamido)benzoyl]oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid;[4-[[(4-methoxybenzoyl)-(2-oxobutyl)amino]methyl]phenyl] 4-heptoxybenzoate has a molecular weight of 3373.04 g/mol, XLogP of 38.27, 91 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[1-[4-(cyclopentanecarbonylamino)phenyl]ethenylamino]ethyl]phenyl] 4-heptoxybenzoate;2-[2-[4-(4-heptoxybenzoyl)oxyphenyl]ethyl-(4-methoxybenzoyl)amino]acetic acid;2-[[4-(4-heptoxybenzoyl)oxyphenyl]methyl-(4-methoxybenzoyl)amino]acetic acid;[4-[[2-hydroxyprop-2-enyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-heptoxybenzoate;2-[[4-[4-(methanesulfonamido)benzoyl]oxyphenyl]methyl-[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid;[4-[[(4-methoxybenzoyl)-(2-oxobutyl)amino]methyl]phenyl] 4-heptoxybenzoate is sourced from PubChem (CID 158367913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).