2-[1-(2-cyclohexylethyl)-3-(4-methoxybenzoyl)-2-methylindol-6-yl]oxy-2-methylpropanoic acid

C29H35NO5 — CID 46241414

IUPAC2-[1-(2-cyclohexylethyl)-3-(4-methoxybenzoyl)-2-methylindol-6-yl]oxy-2-methylpropanoic acid
SMILESCOc1ccc(C(=O)c2c(C)n(CCC3CCCCC3)c3cc(OC(C)(C)C(=O)O)ccc23)cc1
InChIInChI=1S/C29H35NO5/c1-19-26(27(31)21-10-12-22(34-4)13-11-21)24-15-14-23(35-29(2,3)28(32)33)18-25(24)30(19)17-16-20-8-6-5-7-9-20/h10-15,18,20H,5-9,16-17H2,1-4H3,(H,32,33)
InChIKeyZNIQHMMMLLPBRJ-UHFFFAOYSA-N
MW477.60 g/mol
LogP6.40
Rot. Bonds9

About 2-[1-(2-cyclohexylethyl)-3-(4-methoxybenzoyl)-2-methylindol-6-yl]oxy-2-methylpropanoic acid

2-[1-(2-cyclohexylethyl)-3-(4-methoxybenzoyl)-2-methylindol-6-yl]oxy-2-methylpropanoic acid (PubChem CID 46241414) has the molecular formula C29H35NO5 and a molecular weight of 477.60 g/mol. Its IUPAC name is 2-[1-(2-cyclohexylethyl)-3-(4-methoxybenzoyl)-2-methylindol-6-yl]oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(2-cyclohexylethyl)-3-(4-methoxybenzoyl)-2-methylindol-6-yl]oxy-2-methylpropanoic acid
PubChem CID46241414
Molecular FormulaC29H35NO5
Molecular Weight477.60 g/mol
Exact Mass477.25
IUPAC Name2-[1-(2-cyclohexylethyl)-3-(4-methoxybenzoyl)-2-methylindol-6-yl]oxy-2-methylpropanoic acid
SMILESCOc1ccc(C(=O)c2c(C)n(CCC3CCCCC3)c3cc(OC(C)(C)C(=O)O)ccc23)cc1
InChIInChI=1S/C29H35NO5/c1-19-26(27(31)21-10-12-22(34-4)13-11-21)24-15-14-23(35-29(2,3)28(32)33)18-25(24)30(19)17-16-20-8-6-5-7-9-20/h10-15,18,20H,5-9,16-17H2,1-4H3,(H,32,33)
InChIKeyZNIQHMMMLLPBRJ-UHFFFAOYSA-N
XLogP6.40
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.60
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2-cyclohexylethyl)-3-(4-methoxybenzoyl)-2-methylindol-6-yl]oxy-2-methylpropanoic acid 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-[3-(4-methoxybenzoyl)-1-[(2-methoxyphenyl)methyl]-2-methylindol-6-yl]oxy-2-methylpropanoic acid
CID 46241320
2-[4-[[3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]methyl]phenoxy]-2-methylpropanoic acid
CID 10053047
2-[3-[[3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]methyl]phenoxy]-2-methylpropanoic acid
CID 18438812
(2R)-2-[4-[[3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]methyl]phenoxy]butanoic acid
CID 10482437
(4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone
CID 15015511
methyl 9-(cyclohexylmethyl)-7-methoxycarbazole-3-carboxylate
CID 56651695
sodium (2R)-2-[3-[[3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]methyl]phenoxy]propanoate
CID 162310873
1-(2-cyclohexylethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 63548848
(1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 45271275
(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
CID 71679096
1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid
CID 56631463
(4-methoxyphenyl)-[2-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-3-yl]methanone;hydrochloride
CID 18968741

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclohexylethyl)-3-(4-methoxybenzoyl)-2-methylindol-6-yl]oxy-2-methylpropanoic acid?
The IUPAC name of 2-[1-(2-cyclohexylethyl)-3-(4-methoxybenzoyl)-2-methylindol-6-yl]oxy-2-methylpropanoic acid (CID 46241414) is 2-[1-(2-cyclohexylethyl)-3-(4-methoxybenzoyl)-2-methylindol-6-yl]oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(2-cyclohexylethyl)-3-(4-methoxybenzoyl)-2-methylindol-6-yl]oxy-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(2-cyclohexylethyl)-3-(4-methoxybenzoyl)-2-methylindol-6-yl]oxy-2-methylpropanoic acid is COc1ccc(C(=O)c2c(C)n(CCC3CCCCC3)c3cc(OC(C)(C)C(=O)O)ccc23)cc1.
What is the InChIKey of 2-[1-(2-cyclohexylethyl)-3-(4-methoxybenzoyl)-2-methylindol-6-yl]oxy-2-methylpropanoic acid?
The InChIKey is ZNIQHMMMLLPBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO5/c1-19-26(27(31)21-10-12-22(34-4)13-11-21)24-15-14-23(35-29(2,3)28(32)33)18-25(24)30(19)17-16-20-8-6-5-7-9-20/h10-15,18,20H,5-9,16-17H2,1-4H3,(H,32,33).
What are the key properties of 2-[1-(2-cyclohexylethyl)-3-(4-methoxybenzoyl)-2-methylindol-6-yl]oxy-2-methylpropanoic acid?
2-[1-(2-cyclohexylethyl)-3-(4-methoxybenzoyl)-2-methylindol-6-yl]oxy-2-methylpropanoic acid has a molecular weight of 477.60 g/mol, XLogP of 6.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclohexylethyl)-3-(4-methoxybenzoyl)-2-methylindol-6-yl]oxy-2-methylpropanoic acid is sourced from PubChem (CID 46241414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).