N-butyl-N-heptylacetamide

C13H27NO — CID 91713167

IUPACN-butyl-N-heptylacetamide
SMILESCCCCCCCN(CCCC)C(C)=O
InChIInChI=1S/C13H27NO/c1-4-6-8-9-10-12-14(13(3)15)11-7-5-2/h4-12H2,1-3H3
InChIKeyRWUCFLVHMZYOLQ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.61
Rot. Bonds9

About N-butyl-N-heptylacetamide

N-butyl-N-heptylacetamide (PubChem CID 91713167) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-butyl-N-heptylacetamide.

Molecular Properties

Compound NameN-butyl-N-heptylacetamide
PubChem CID91713167
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-butyl-N-heptylacetamide
SMILESCCCCCCCN(CCCC)C(C)=O
InChIInChI=1S/C13H27NO/c1-4-6-8-9-10-12-14(13(3)15)11-7-5-2/h4-12H2,1-3H3
InChIKeyRWUCFLVHMZYOLQ-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butyl-N-heptylacetamide 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

N,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
N-(2-aminoethyl)-N-hexylacetamide
CID 174728155
N-(2-bromoethyl)-N-butylacetamide
CID 80659482
methyl 5-[acetyl(dodecyl)amino]pentanoate
CID 14219899
N-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide
CID 82103796
N,N,N',N'-tetrahexyloxamide
CID 6424911
1-butyl-1-dodecylurea
CID 168918855
N-butyl-2-methyl-N-octylprop-2-enamide
CID 20743986
N-decyl-N-tetradecylacetamide;hexane;methoxy(dimethyl)phosphane;propan-2-ol
CID 170646135
hexyl(octadecyl)carbamic acid
CID 87702094

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-heptylacetamide?
The IUPAC name of N-butyl-N-heptylacetamide (CID 91713167) is N-butyl-N-heptylacetamide.
What is the SMILES notation for N-butyl-N-heptylacetamide?
The canonical SMILES for N-butyl-N-heptylacetamide is CCCCCCCN(CCCC)C(C)=O.
What is the InChIKey of N-butyl-N-heptylacetamide?
The InChIKey is RWUCFLVHMZYOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-6-8-9-10-12-14(13(3)15)11-7-5-2/h4-12H2,1-3H3.
What are the key properties of N-butyl-N-heptylacetamide?
N-butyl-N-heptylacetamide has a molecular weight of 213.36 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-heptylacetamide is sourced from PubChem (CID 91713167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).