7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid

C17H24N2O4 — CID 119350798

IUPAC7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid
SMILESCN(C)C(=O)c1ccc(C(=O)NCCCCCCC(=O)O)cc1
InChIInChI=1S/C17H24N2O4/c1-19(2)17(23)14-10-8-13(9-11-14)16(22)18-12-6-4-3-5-7-15(20)21/h8-11H,3-7,12H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyHCFGAPZKSVWPKA-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.15
Rot. Bonds9

About 7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid

7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid (PubChem CID 119350798) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid
PubChem CID119350798
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid
SMILESCN(C)C(=O)c1ccc(C(=O)NCCCCCCC(=O)O)cc1
InChIInChI=1S/C17H24N2O4/c1-19(2)17(23)14-10-8-13(9-11-14)16(22)18-12-6-4-3-5-7-15(20)21/h8-11H,3-7,12H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyHCFGAPZKSVWPKA-UHFFFAOYSA-N
XLogP2.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793
5-[(4-acetylbenzoyl)amino]pentanoic acid
CID 119234275
7-[(4-carbamoylbenzoyl)amino]heptanoic acid
CID 43358997
5-[(4-ethylbenzoyl)amino]pentanoic acid
CID 62034291
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
4-[[4-(diethylcarbamoyl)benzoyl]amino]butanoic acid
CID 119352901
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
4-(3-carboxypropylcarbamoyl)benzoic acid
CID 119112063
5-[[4-(methylsulfanylmethyl)benzoyl]amino]pentanoic acid
CID 62033572
6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
CID 16787400
5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid
CID 119234298

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid?
The IUPAC name of 7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid (CID 119350798) is 7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid?
The canonical SMILES for 7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid is CN(C)C(=O)c1ccc(C(=O)NCCCCCCC(=O)O)cc1.
What is the InChIKey of 7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid?
The InChIKey is HCFGAPZKSVWPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-19(2)17(23)14-10-8-13(9-11-14)16(22)18-12-6-4-3-5-7-15(20)21/h8-11H,3-7,12H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid?
7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid has a molecular weight of 320.39 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid is sourced from PubChem (CID 119350798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).