N,N-diethylhept-6-enamide

C11H21NO — CID 10726145

IUPACN,N-diethylhept-6-enamide
SMILESC=CCCCCC(=O)N(CC)CC
InChIInChI=1S/C11H21NO/c1-4-7-8-9-10-11(13)12(5-2)6-3/h4H,1,5-10H2,2-3H3
InChIKeyMYEYHXSVGKDUBP-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.60
Rot. Bonds7

About N,N-diethylhept-6-enamide

N,N-diethylhept-6-enamide (PubChem CID 10726145) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N,N-diethylhept-6-enamide.

Molecular Properties

Compound NameN,N-diethylhept-6-enamide
PubChem CID10726145
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN,N-diethylhept-6-enamide
SMILESC=CCCCCC(=O)N(CC)CC
InChIInChI=1S/C11H21NO/c1-4-7-8-9-10-11(13)12(5-2)6-3/h4H,1,5-10H2,2-3H3
InChIKeyMYEYHXSVGKDUBP-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-diethylhept-6-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethylhept-6-enamide?
The IUPAC name of N,N-diethylhept-6-enamide (CID 10726145) is N,N-diethylhept-6-enamide.
What is the SMILES notation for N,N-diethylhept-6-enamide?
The canonical SMILES for N,N-diethylhept-6-enamide is C=CCCCCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethylhept-6-enamide?
The InChIKey is MYEYHXSVGKDUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-7-8-9-10-11(13)12(5-2)6-3/h4H,1,5-10H2,2-3H3.
What are the key properties of N,N-diethylhept-6-enamide?
N,N-diethylhept-6-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylhept-6-enamide is sourced from PubChem (CID 10726145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).