7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid

C17H25NO3 — CID 24695626

IUPAC7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid
SMILESCc1cc(C)c(C(=O)NCCCCCCC(=O)O)c(C)c1
InChIInChI=1S/C17H25NO3/c1-12-10-13(2)16(14(3)11-12)17(21)18-9-7-5-4-6-8-15(19)20/h10-11H,4-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyAJMIGQDTCMWFEZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.38
Rot. Bonds8

About 7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid

7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid (PubChem CID 24695626) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid
PubChem CID24695626
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid
SMILESCc1cc(C)c(C(=O)NCCCCCCC(=O)O)c(C)c1
InChIInChI=1S/C17H25NO3/c1-12-10-13(2)16(14(3)11-12)17(21)18-9-7-5-4-6-8-15(19)20/h10-11H,4-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyAJMIGQDTCMWFEZ-UHFFFAOYSA-N
XLogP3.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-trimethyl-N-[3-[(2,4,6-trimethylbenzoyl)amino]propyl]benzamide
CID 132917401
6-[4-(2,4,6-trimethylphenyl)butanoylamino]hexanoic acid
CID 94966889
2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide
CID 91612182
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
6-[3-(3,5-dimethylphenyl)propanoylamino]hexanoic acid
CID 120522582
7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid
CID 106860475
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 55161013
6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
CID 16787400
7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
7-[(3-methyl-5-nitrobenzoyl)amino]heptanoic acid
CID 119350687

Frequently Asked Questions

What is the IUPAC name of 7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid?
The IUPAC name of 7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid (CID 24695626) is 7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid?
The canonical SMILES for 7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid is Cc1cc(C)c(C(=O)NCCCCCCC(=O)O)c(C)c1.
What is the InChIKey of 7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid?
The InChIKey is AJMIGQDTCMWFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-10-13(2)16(14(3)11-12)17(21)18-9-7-5-4-6-8-15(19)20/h10-11H,4-9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid?
7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid is sourced from PubChem (CID 24695626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).