4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid

C20H22N2O4 — CID 120516103

IUPAC4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H22N2O4/c1-13(2)12-17(20(25)26)22-19(24)15-10-8-14(9-11-15)18(23)21-16-6-4-3-5-7-16/h3-11,13,17H,12H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyWZSVWABCWIGQHF-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.17
Rot. Bonds7

About 4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid

4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid (PubChem CID 120516103) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
PubChem CID120516103
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H22N2O4/c1-13(2)12-17(20(25)26)22-19(24)15-10-8-14(9-11-15)18(23)21-16-6-4-3-5-7-16/h3-11,13,17H,12H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyWZSVWABCWIGQHF-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

2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid
CID 119188161
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 40701331
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427
2-[[4-(phenylcarbamoyl)benzoyl]amino]hexanoic acid
CID 120537960
(2S)-4-methyl-2-[(4-propanoylbenzoyl)amino]pentanoic acid
CID 119361961
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
(2S)-2-[[4-(4-hydroxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 91416190
(2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid
CID 51426594

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid (CID 120516103) is 4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid is CC(C)CC(NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid?
The InChIKey is WZSVWABCWIGQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(2)12-17(20(25)26)22-19(24)15-10-8-14(9-11-15)18(23)21-16-6-4-3-5-7-16/h3-11,13,17H,12H2,1-2H3,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid?
4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic 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 4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 120516103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).