N-prop-1-en-2-ylheptanamide

C10H19NO — CID 89354267

IUPACN-prop-1-en-2-ylheptanamide
SMILESC=C(C)NC(=O)CCCCCC
InChIInChI=1S/C10H19NO/c1-4-5-6-7-8-10(12)11-9(2)3/h2,4-8H2,1,3H3,(H,11,12)
InChIKeyDGDFDMVKWZMRMU-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.61
Rot. Bonds6

About N-prop-1-en-2-ylheptanamide

N-prop-1-en-2-ylheptanamide (PubChem CID 89354267) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-prop-1-en-2-ylheptanamide.

Molecular Properties

Compound NameN-prop-1-en-2-ylheptanamide
PubChem CID89354267
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-prop-1-en-2-ylheptanamide
SMILESC=C(C)NC(=O)CCCCCC
InChIInChI=1S/C10H19NO/c1-4-5-6-7-8-10(12)11-9(2)3/h2,4-8H2,1,3H3,(H,11,12)
InChIKeyDGDFDMVKWZMRMU-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-prop-1-en-2-ylheptanamide 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-decanoyldecanamide
CID 87914075
N-(2-methylprop-2-enoyl)heptadecanamide
CID 91422335
N-acetylundecanamide
CID 18949728
N-octanoyloctanamide;hydrobromide
CID 175059894
2-(octadecanoylamino)prop-2-enoic acid
CID 126504560
N-carbamoyloctanamide
CID 24740663
N-(2-methylpropanoyl)heptanamide
CID 150179955
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
2-(heptanoylamino)but-2-enoic acid
CID 54363986
N-methylundecanamide
CID 23297450
N-hydroxytridecanamide
CID 14122613
N-methylheptacosanamide
CID 18175889

Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-ylheptanamide?
The IUPAC name of N-prop-1-en-2-ylheptanamide (CID 89354267) is N-prop-1-en-2-ylheptanamide.
What is the SMILES notation for N-prop-1-en-2-ylheptanamide?
The canonical SMILES for N-prop-1-en-2-ylheptanamide is C=C(C)NC(=O)CCCCCC.
What is the InChIKey of N-prop-1-en-2-ylheptanamide?
The InChIKey is DGDFDMVKWZMRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-6-7-8-10(12)11-9(2)3/h2,4-8H2,1,3H3,(H,11,12).
What are the key properties of N-prop-1-en-2-ylheptanamide?
N-prop-1-en-2-ylheptanamide has a molecular weight of 169.27 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-ylheptanamide is sourced from PubChem (CID 89354267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).