4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid

C24H26N2O4 — CID 14708738

IUPAC4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)CC3CCCC3)cc21
InChIInChI=1S/C24H26N2O4/c1-30-22-13-18(24(28)29)6-7-19(22)15-26-11-10-17-8-9-20(14-21(17)26)25-23(27)12-16-4-2-3-5-16/h6-11,13-14,16H,2-5,12,15H2,1H3,(H,25,27)(H,28,29)
InChIKeyQZUGWDCZZPNSMW-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.92
Rot. Bonds7

About 4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid

4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid (PubChem CID 14708738) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid
PubChem CID14708738
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)CC3CCCC3)cc21
InChIInChI=1S/C24H26N2O4/c1-30-22-13-18(24(28)29)6-7-19(22)15-26-11-10-17-8-9-20(14-21(17)26)25-23(27)12-16-4-2-3-5-16/h6-11,13-14,16H,2-5,12,15H2,1H3,(H,25,27)(H,28,29)
InChIKeyQZUGWDCZZPNSMW-UHFFFAOYSA-N
XLogP4.92
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl N-[1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate
CID 14753014
N-{(1S,2R)-1-Benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-1-ethyl-4-(2-oxopyrrolidin-1-YL)-1H-indole-6-carboxamide
CID 44526776
4-[5-(2-Cyclopentyl-acetylamino)-1-methyl-1H-indol-3-ylmethyl]-3-methoxy-benzoic acid
CID 14626842
N-(4-[6-(2-cyclopentylacetamido)indol-1-ylmethyl]-3-methoxybenzoyl)benzenesulphonamide
CID 14753021
4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide
CID 14753022
cyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate
CID 15013740
N-(benzenesulfonyl)-4-[[3-butanoyl-6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzamide
CID 15013741
4-[[6-[(2-cyclopentylacetyl)amino]-3-methylindol-1-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide
CID 15013729
Methyl 3-[1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-6-[(2-cyclopentylacetyl)amino]indol-3-yl]propanoate
CID 15013736
3-[1-[[4-(Benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-6-[(2-cyclopentylacetyl)amino]indol-3-yl]propanoic acid
CID 15013737
N-(benzenesulfonyl)-4-[[6-[(2-cyclopentylacetyl)amino]-3-[3-(methylamino)-3-oxopropyl]indol-1-yl]methyl]-3-methoxybenzamide
CID 15013744
4-[[3-(3-amino-3-oxopropyl)-6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide
CID 44460841

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid?
The IUPAC name of 4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid (CID 14708738) is 4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid?
The canonical SMILES for 4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)CC3CCCC3)cc21.
What is the InChIKey of 4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid?
The InChIKey is QZUGWDCZZPNSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-30-22-13-18(24(28)29)6-7-19(22)15-26-11-10-17-8-9-20(14-21(17)26)25-23(27)12-16-4-2-3-5-16/h6-11,13-14,16H,2-5,12,15H2,1H3,(H,25,27)(H,28,29).
What are the key properties of 4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid?
4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid has a molecular weight of 406.48 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoic acid is sourced from PubChem (CID 14708738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).