2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid

C20H24N2O4 — CID 95127217

IUPAC2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid
SMILESCOc1ccccc1C[C@@H](C)N(C)C(=O)c1ccccc1NCC(=O)O
InChIInChI=1S/C20H24N2O4/c1-14(12-15-8-4-7-11-18(15)26-3)22(2)20(25)16-9-5-6-10-17(16)21-13-19(23)24/h4-11,14,21H,12-13H2,1-3H3,(H,23,24)/t14-/m1/s1
InChIKeyBSAYAOHMUCROKO-CQSZACIVSA-N
MW356.42 g/mol
LogP2.89
Rot. Bonds8

About 2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid

2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid (PubChem CID 95127217) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid
PubChem CID95127217
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid
SMILESCOc1ccccc1C[C@@H](C)N(C)C(=O)c1ccccc1NCC(=O)O
InChIInChI=1S/C20H24N2O4/c1-14(12-15-8-4-7-11-18(15)26-3)22(2)20(25)16-9-5-6-10-17(16)21-13-19(23)24/h4-11,14,21H,12-13H2,1-3H3,(H,23,24)/t14-/m1/s1
InChIKeyBSAYAOHMUCROKO-CQSZACIVSA-N
XLogP2.89
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]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

3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide
CID 96567455
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
5-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]-4-methylpyridine-3-carboxylic acid
CID 146143174
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)benzamide
CID 62180129
2-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethylpropanamide
CID 103029189
N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethyl-4-phenylpyrimidine-5-carboxamide
CID 99939494
2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide
CID 65488311
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N,6-dimethylpyridine-2-carboxamide
CID 96567463

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid?
The IUPAC name of 2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid (CID 95127217) is 2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid.
What is the SMILES notation for 2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid?
The canonical SMILES for 2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid is COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccccc1NCC(=O)O.
What is the InChIKey of 2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid?
The InChIKey is BSAYAOHMUCROKO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14(12-15-8-4-7-11-18(15)26-3)22(2)20(25)16-9-5-6-10-17(16)21-13-19(23)24/h4-11,14,21H,12-13H2,1-3H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid?
2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid has a molecular weight of 356.42 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]-methylcarbamoyl]anilino]acetic acid is sourced from PubChem (CID 95127217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).