2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid

C20H22N2O4 — CID 119188161

IUPAC2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H22N2O4/c1-13(2)12-17(20(25)26)22-19(24)15-8-10-16(11-9-15)21-18(23)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyWRTLTPMCTLBQLJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.17
Rot. Bonds7

About 2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid

2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid (PubChem CID 119188161) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid
PubChem CID119188161
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H22N2O4/c1-13(2)12-17(20(25)26)22-19(24)15-8-10-16(11-9-15)21-18(23)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyWRTLTPMCTLBQLJ-UHFFFAOYSA-N
XLogP3.17
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120516103
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
(2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid
CID 120614965
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 40701331
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 7324596
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
(2S)-4-methyl-2-[(4-propanoylbenzoyl)amino]pentanoic acid
CID 119361961
2-benzamido-4-methyl-5-oxohexanoic acid
CID 139610506

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid (CID 119188161) is 2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is WRTLTPMCTLBQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(2)12-17(20(25)26)22-19(24)15-8-10-16(11-9-15)21-18(23)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid?
2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 354.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119188161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).