3-[4-(cyclohexylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid

C87H84N6O12 — CID 160556756

IUPAC3-[4-(cyclohexylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
SMILESCOc1cccc(Cn2c(C(=O)O)c(-c3ccc(C(=O)N(C)C4CCCC4)cc3)c3ccccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3ccc(C(=O)NC4CCCCC4)cc3)c3ccccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3cccc(C(=O)NC4CC4)c3)c3ccccc32)c1
InChIInChI=1S/2C30H30N2O4.C27H24N2O4/c1-31(23-9-3-4-10-23)29(33)22-16-14-21(15-17-22)27-25-12-5-6-13-26(25)32(28(27)30(34)35)19-20-8-7-11-24(18-20)36-2;1-36-24-11-7-8-20(18-24)19-32-26-13-6-5-12-25(26)27(28(32)30(34)35)21-14-16-22(17-15-21)29(33)31-23-9-3-2-4-10-23;1-33-21-9-4-6-17(14-21)16-29-23-11-3-2-10-22(23)24(25(29)27(31)32)18-7-5-8-19(15-18)26(30)28-20-12-13-20/h5-8,11-18,23H,3-4,9-10,19H2,1-2H3,(H,34,35);5-8,11-18,23H,2-4,9-10,19H2,1H3,(H,31,33)(H,34,35);2-11,14-15,20H,12-13,16H2,1H3,(H,28,30)(H,31,32)
InChIKeyQYUAFTXIABOARY-UHFFFAOYSA-N
MW1405.66 g/mol
LogP17.16
Rot. Bonds21

About 3-[4-(cyclohexylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid

3-[4-(cyclohexylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid (PubChem CID 160556756) has the molecular formula C87H84N6O12 and a molecular weight of 1405.66 g/mol. Its IUPAC name is 3-[4-(cyclohexylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name3-[4-(cyclohexylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
PubChem CID160556756
Molecular FormulaC87H84N6O12
Molecular Weight1405.66 g/mol
Exact Mass1404.61
IUPAC Name3-[4-(cyclohexylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
SMILESCOc1cccc(Cn2c(C(=O)O)c(-c3ccc(C(=O)N(C)C4CCCC4)cc3)c3ccccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3ccc(C(=O)NC4CCCCC4)cc3)c3ccccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3cccc(C(=O)NC4CC4)c3)c3ccccc32)c1
InChIInChI=1S/2C30H30N2O4.C27H24N2O4/c1-31(23-9-3-4-10-23)29(33)22-16-14-21(15-17-22)27-25-12-5-6-13-26(25)32(28(27)30(34)35)19-20-8-7-11-24(18-20)36-2;1-36-24-11-7-8-20(18-24)19-32-26-13-6-5-12-25(26)27(28(32)30(34)35)21-14-16-22(17-15-21)29(33)31-23-9-3-2-4-10-23;1-33-21-9-4-6-17(14-21)16-29-23-11-3-2-10-22(23)24(25(29)27(31)32)18-7-5-8-19(15-18)26(30)28-20-12-13-20/h5-8,11-18,23H,3-4,9-10,19H2,1-2H3,(H,34,35);5-8,11-18,23H,2-4,9-10,19H2,1H3,(H,31,33)(H,34,35);2-11,14-15,20H,12-13,16H2,1H3,(H,28,30)(H,31,32)
InChIKeyQYUAFTXIABOARY-UHFFFAOYSA-N
XLogP17.16
TPSA232.89 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001405.66
LogP ≤ 517.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 3-[4-(cyclohexylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid with MolForge

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Related Compounds

3-[4-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 10297013
3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 158280115
3-(4-tert-butylphenyl)-5-(cyclopropanecarbonyl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 59066130
3-[3-(butanoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 142136236
3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-phenylmethoxyindole-2-carboxylic acid
CID 22676794
1-[1-[[3-(cyclopropylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)indol-2-yl]ethanone
CID 59066246
N-cyclohexyl-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111392
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043
5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 10278700
3-bromo-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 22310832
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide
CID 117082777

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid?
The IUPAC name of 3-[4-(cyclohexylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid (CID 160556756) is 3-[4-(cyclohexylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid.
What is the SMILES notation for 3-[4-(cyclohexylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid?
The canonical SMILES for 3-[4-(cyclohexylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid is COc1cccc(Cn2c(C(=O)O)c(-c3ccc(C(=O)N(C)C4CCCC4)cc3)c3ccccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3ccc(C(=O)NC4CCCCC4)cc3)c3ccccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3cccc(C(=O)NC4CC4)c3)c3ccccc32)c1.
What is the InChIKey of 3-[4-(cyclohexylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid?
The InChIKey is QYUAFTXIABOARY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H30N2O4.C27H24N2O4/c1-31(23-9-3-4-10-23)29(33)22-16-14-21(15-17-22)27-25-12-5-6-13-26(25)32(28(27)30(34)35)19-20-8-7-11-24(18-20)36-2;1-36-24-11-7-8-20(18-24)19-32-26-13-6-5-12-25(26)27(28(32)30(34)35)21-14-16-22(17-15-21)29(33)31-23-9-3-2-4-10-23;1-33-21-9-4-6-17(14-21)16-29-23-11-3-2-10-22(23)24(25(29)27(31)32)18-7-5-8-19(15-18)26(30)28-20-12-13-20/h5-8,11-18,23H,3-4,9-10,19H2,1-2H3,(H,34,35);5-8,11-18,23H,2-4,9-10,19H2,1H3,(H,31,33)(H,34,35);2-11,14-15,20H,12-13,16H2,1H3,(H,28,30)(H,31,32).
What are the key properties of 3-[4-(cyclohexylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid?
3-[4-(cyclohexylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid has a molecular weight of 1405.66 g/mol, XLogP of 17.16, 21 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-[cyclopentyl(methyl)carbamoyl]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoyl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid is sourced from PubChem (CID 160556756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).