5-[(4-ethylbenzoyl)amino]pentanoic acid

C14H19NO3 — CID 62034291

IUPAC5-[(4-ethylbenzoyl)amino]pentanoic acid
SMILESCCc1ccc(C(=O)NCCCCC(=O)O)cc1
InChIInChI=1S/C14H19NO3/c1-2-11-6-8-12(9-7-11)14(18)15-10-4-3-5-13(16)17/h6-9H,2-5,10H2,1H3,(H,15,18)(H,16,17)
InChIKeyVTAVVFCRVHODAE-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.23
Rot. Bonds7

About 5-[(4-ethylbenzoyl)amino]pentanoic acid

5-[(4-ethylbenzoyl)amino]pentanoic acid (PubChem CID 62034291) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[(4-ethylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(4-ethylbenzoyl)amino]pentanoic acid
PubChem CID62034291
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-[(4-ethylbenzoyl)amino]pentanoic acid
SMILESCCc1ccc(C(=O)NCCCCC(=O)O)cc1
InChIInChI=1S/C14H19NO3/c1-2-11-6-8-12(9-7-11)14(18)15-10-4-3-5-13(16)17/h6-9H,2-5,10H2,1H3,(H,15,18)(H,16,17)
InChIKeyVTAVVFCRVHODAE-UHFFFAOYSA-N
XLogP2.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid
CID 119235222
5-[(4-acetylbenzoyl)amino]pentanoic acid
CID 119234275
5-[[4-(methylsulfanylmethyl)benzoyl]amino]pentanoic acid
CID 62033572
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
N-(4-chlorobutyl)-4-ethylbenzamide
CID 106845476
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid
CID 119350798
7-[(4-carbamoylbenzoyl)amino]heptanoic acid
CID 43358997
6-[[4-[(2-methylpropanoylamino)methyl]benzoyl]amino]hexanoic acid
CID 39186918
4-[[4-(methylsulfanylmethyl)benzoyl]amino]butanoic acid
CID 43239271
4-[(4-hexanoylbenzoyl)amino]butanoic acid
CID 174552698

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylbenzoyl)amino]pentanoic acid?
The IUPAC name of 5-[(4-ethylbenzoyl)amino]pentanoic acid (CID 62034291) is 5-[(4-ethylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(4-ethylbenzoyl)amino]pentanoic acid?
The canonical SMILES for 5-[(4-ethylbenzoyl)amino]pentanoic acid is CCc1ccc(C(=O)NCCCCC(=O)O)cc1.
What is the InChIKey of 5-[(4-ethylbenzoyl)amino]pentanoic acid?
The InChIKey is VTAVVFCRVHODAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-11-6-8-12(9-7-11)14(18)15-10-4-3-5-13(16)17/h6-9H,2-5,10H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 5-[(4-ethylbenzoyl)amino]pentanoic acid?
5-[(4-ethylbenzoyl)amino]pentanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 62034291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).