2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic acid

C22H24N2O4 — CID 119235611

IUPAC2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic acid
SMILESCOc1ccccc1CC(C)(C)C(=O)Nc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C22H24N2O4/c1-22(2,13-16-6-4-5-7-19(16)28-3)21(27)23-17-8-9-18-15(12-17)10-11-24(18)14-20(25)26/h4-12H,13-14H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyFBKXEIMUZJVFAB-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.94
Rot. Bonds7

About 2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic acid

2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic acid (PubChem CID 119235611) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic acid
PubChem CID119235611
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic acid
SMILESCOc1ccccc1CC(C)(C)C(=O)Nc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C22H24N2O4/c1-22(2,13-16-6-4-5-7-19(16)28-3)21(27)23-17-8-9-18-15(12-17)10-11-24(18)14-20(25)26/h4-12H,13-14H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyFBKXEIMUZJVFAB-UHFFFAOYSA-N
XLogP3.94
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic 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-[2-fluoro-4-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]phenyl]acetic acid
CID 122109874
2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid
CID 119235412
2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid
CID 119235392
2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 39351923
2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
CID 119235428
2-[5-[(2-methyl-3-methylsulfanylpropanoyl)amino]indol-1-yl]acetic acid
CID 119235489
1-[1-(2-amino-2-methylpropyl)indol-5-yl]-3-(4-anilino-2-methoxyphenyl)urea
CID 91566130
N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
CID 119419521
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide
CID 86887844
2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 42537123
2-[5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]indol-1-yl]acetic acid
CID 119235402
2-[5-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]indol-1-yl]acetic acid
CID 119235492

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic acid (CID 119235611) is 2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic acid is COc1ccccc1CC(C)(C)C(=O)Nc1ccc2c(ccn2CC(=O)O)c1.
What is the InChIKey of 2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic acid?
The InChIKey is FBKXEIMUZJVFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-22(2,13-16-6-4-5-7-19(16)28-3)21(27)23-17-8-9-18-15(12-17)10-11-24(18)14-20(25)26/h4-12H,13-14H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of 2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic acid?
2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic acid has a molecular weight of 380.44 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]amino]indol-1-yl]acetic acid is sourced from PubChem (CID 119235611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).