6-[(3-acetamidobenzoyl)amino]hexanoic acid

C15H20N2O4 — CID 43170043

IUPAC6-[(3-acetamidobenzoyl)amino]hexanoic acid
SMILESCC(=O)Nc1cccc(C(=O)NCCCCCC(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-11(18)17-13-7-5-6-12(10-13)15(21)16-9-4-2-3-8-14(19)20/h5-7,10H,2-4,8-9H2,1H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyRFMMYDAZLPZDLN-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.02
Rot. Bonds8

About 6-[(3-acetamidobenzoyl)amino]hexanoic acid

6-[(3-acetamidobenzoyl)amino]hexanoic acid (PubChem CID 43170043) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-[(3-acetamidobenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(3-acetamidobenzoyl)amino]hexanoic acid
PubChem CID43170043
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name6-[(3-acetamidobenzoyl)amino]hexanoic acid
SMILESCC(=O)Nc1cccc(C(=O)NCCCCCC(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-11(18)17-13-7-5-6-12(10-13)15(21)16-9-4-2-3-8-14(19)20/h5-7,10H,2-4,8-9H2,1H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyRFMMYDAZLPZDLN-UHFFFAOYSA-N
XLogP2.02
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063
3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696
4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid
CID 23118561
N-butyl-3-(heptanoylamino)benzamide
CID 54789148
3-acetamido-N-ethylbenzamide
CID 17230670
5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid
CID 58757430
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876
6-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]hexanoic acid
CID 119352210
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
5-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 62033959
7-[(3-cyanobenzoyl)amino]heptanoic acid
CID 24707354

Frequently Asked Questions

What is the IUPAC name of 6-[(3-acetamidobenzoyl)amino]hexanoic acid?
The IUPAC name of 6-[(3-acetamidobenzoyl)amino]hexanoic acid (CID 43170043) is 6-[(3-acetamidobenzoyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(3-acetamidobenzoyl)amino]hexanoic acid?
The canonical SMILES for 6-[(3-acetamidobenzoyl)amino]hexanoic acid is CC(=O)Nc1cccc(C(=O)NCCCCCC(=O)O)c1.
What is the InChIKey of 6-[(3-acetamidobenzoyl)amino]hexanoic acid?
The InChIKey is RFMMYDAZLPZDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11(18)17-13-7-5-6-12(10-13)15(21)16-9-4-2-3-8-14(19)20/h5-7,10H,2-4,8-9H2,1H3,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 6-[(3-acetamidobenzoyl)amino]hexanoic acid?
6-[(3-acetamidobenzoyl)amino]hexanoic acid has a molecular weight of 292.34 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-acetamidobenzoyl)amino]hexanoic acid is sourced from PubChem (CID 43170043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).