2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid

C20H22N2O5 — CID 120530324

IUPAC2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid
SMILESCOc1ccc(C(NC(=O)c2ccc(C(=O)NC(C)C)cc2)C(=O)O)cc1
InChIInChI=1S/C20H22N2O5/c1-12(2)21-18(23)14-4-6-15(7-5-14)19(24)22-17(20(25)26)13-8-10-16(27-3)11-9-13/h4-12,17H,1-3H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeySRUVECLZNCSHML-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.39
Rot. Bonds7

About 2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid

2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid (PubChem CID 120530324) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid
PubChem CID120530324
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid
SMILESCOc1ccc(C(NC(=O)c2ccc(C(=O)NC(C)C)cc2)C(=O)O)cc1
InChIInChI=1S/C20H22N2O5/c1-12(2)21-18(23)14-4-6-15(7-5-14)19(24)22-17(20(25)26)13-8-10-16(27-3)11-9-13/h4-12,17H,1-3H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeySRUVECLZNCSHML-UHFFFAOYSA-N
XLogP2.39
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
2-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid
CID 120688356
N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 102217695
(2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid
CID 119364694
(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanedioic acid
CID 54549450
2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid
CID 120530355
4-methoxy-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286844
2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
CID 82344765
(2S)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetic acid
CID 154100928
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid (CID 120530324) is 2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid is COc1ccc(C(NC(=O)c2ccc(C(=O)NC(C)C)cc2)C(=O)O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid?
The InChIKey is SRUVECLZNCSHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-12(2)21-18(23)14-4-6-15(7-5-14)19(24)22-17(20(25)26)13-8-10-16(27-3)11-9-13/h4-12,17H,1-3H3,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid?
2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid has a molecular weight of 370.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 120530324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).