7-[(3-cyanobenzoyl)amino]heptanoic acid

C15H18N2O3 — CID 24707354

IUPAC7-[(3-cyanobenzoyl)amino]heptanoic acid
SMILESN#Cc1cccc(C(=O)NCCCCCCC(=O)O)c1
InChIInChI=1S/C15H18N2O3/c16-11-12-6-5-7-13(10-12)15(20)17-9-4-2-1-3-8-14(18)19/h5-7,10H,1-4,8-9H2,(H,17,20)(H,18,19)
InChIKeyRNFPSILVVZLZFT-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.32
Rot. Bonds8

About 7-[(3-cyanobenzoyl)amino]heptanoic acid

7-[(3-cyanobenzoyl)amino]heptanoic acid (PubChem CID 24707354) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 7-[(3-cyanobenzoyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(3-cyanobenzoyl)amino]heptanoic acid
PubChem CID24707354
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name7-[(3-cyanobenzoyl)amino]heptanoic acid
SMILESN#Cc1cccc(C(=O)NCCCCCCC(=O)O)c1
InChIInChI=1S/C15H18N2O3/c16-11-12-6-5-7-13(10-12)15(20)17-9-4-2-1-3-8-14(18)19/h5-7,10H,1-4,8-9H2,(H,17,20)(H,18,19)
InChIKeyRNFPSILVVZLZFT-UHFFFAOYSA-N
XLogP2.32
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.32
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

N-(4-amino-4-oxobutyl)-3-cyanobenzamide
CID 47189124
3-cyano-N-(4-cyanobutyl)benzamide
CID 63284789
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499508
3-cyano-N-(3-oxopropyl)benzamide
CID 166591775
3-cyano-N-[3-(N-methylanilino)propyl]benzamide
CID 24708607
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
(2S)-4-[(3-cyanobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006574
6-[(3-acetamidobenzoyl)amino]hexanoic acid
CID 43170043
N-(5-bromo-4-methylpentyl)-3-cyanobenzamide
CID 106157456
5-[(3-cyanobenzoyl)amino]-4-methylpentanoic acid
CID 82009055

Frequently Asked Questions

What is the IUPAC name of 7-[(3-cyanobenzoyl)amino]heptanoic acid?
The IUPAC name of 7-[(3-cyanobenzoyl)amino]heptanoic acid (CID 24707354) is 7-[(3-cyanobenzoyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(3-cyanobenzoyl)amino]heptanoic acid?
The canonical SMILES for 7-[(3-cyanobenzoyl)amino]heptanoic acid is N#Cc1cccc(C(=O)NCCCCCCC(=O)O)c1.
What is the InChIKey of 7-[(3-cyanobenzoyl)amino]heptanoic acid?
The InChIKey is RNFPSILVVZLZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-11-12-6-5-7-13(10-12)15(20)17-9-4-2-1-3-8-14(18)19/h5-7,10H,1-4,8-9H2,(H,17,20)(H,18,19).
What are the key properties of 7-[(3-cyanobenzoyl)amino]heptanoic acid?
7-[(3-cyanobenzoyl)amino]heptanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-cyanobenzoyl)amino]heptanoic acid is sourced from PubChem (CID 24707354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).