7-[(4-methylbenzoyl)amino]heptanoic acid

C15H21NO3 — CID 24695278

IUPAC7-[(4-methylbenzoyl)amino]heptanoic acid
SMILESCc1ccc(C(=O)NCCCCCCC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-12-7-9-13(10-8-12)15(19)16-11-5-3-2-4-6-14(17)18/h7-10H,2-6,11H2,1H3,(H,16,19)(H,17,18)
InChIKeyOMTYNLQNHZDEQU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.76
Rot. Bonds8

About 7-[(4-methylbenzoyl)amino]heptanoic acid

7-[(4-methylbenzoyl)amino]heptanoic acid (PubChem CID 24695278) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 7-[(4-methylbenzoyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(4-methylbenzoyl)amino]heptanoic acid
PubChem CID24695278
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name7-[(4-methylbenzoyl)amino]heptanoic acid
SMILESCc1ccc(C(=O)NCCCCCCC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-12-7-9-13(10-8-12)15(19)16-11-5-3-2-4-6-14(17)18/h7-10H,2-6,11H2,1H3,(H,16,19)(H,17,18)
InChIKeyOMTYNLQNHZDEQU-UHFFFAOYSA-N
XLogP2.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.76
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

7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793
5-[(4-acetylbenzoyl)amino]pentanoic acid
CID 119234275
7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid
CID 119350798
7-[(4-carbamoylbenzoyl)amino]heptanoic acid
CID 43358997
5-[(4-ethylbenzoyl)amino]pentanoic acid
CID 62034291
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
CID 16787400
6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 55161013
dodecanedioic acid;1,4-xylene
CID 66586315
4-methyl-N-(4-oxopentyl)benzamide
CID 86117000
4-(3-carboxypropylcarbamoyl)benzoic acid
CID 119112063
5-[[4-(methylsulfanylmethyl)benzoyl]amino]pentanoic acid
CID 62033572

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methylbenzoyl)amino]heptanoic acid?
The IUPAC name of 7-[(4-methylbenzoyl)amino]heptanoic acid (CID 24695278) is 7-[(4-methylbenzoyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(4-methylbenzoyl)amino]heptanoic acid?
The canonical SMILES for 7-[(4-methylbenzoyl)amino]heptanoic acid is Cc1ccc(C(=O)NCCCCCCC(=O)O)cc1.
What is the InChIKey of 7-[(4-methylbenzoyl)amino]heptanoic acid?
The InChIKey is OMTYNLQNHZDEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-7-9-13(10-8-12)15(19)16-11-5-3-2-4-6-14(17)18/h7-10H,2-6,11H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 7-[(4-methylbenzoyl)amino]heptanoic acid?
7-[(4-methylbenzoyl)amino]heptanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methylbenzoyl)amino]heptanoic acid is sourced from PubChem (CID 24695278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).