N,N-bis(prop-2-enyl)hexanamide

C12H21NO — CID 3546331

IUPACN,N-bis(prop-2-enyl)hexanamide
SMILESC=CCN(CC=C)C(=O)CCCCC
InChIInChI=1S/C12H21NO/c1-4-7-8-9-12(14)13(10-5-2)11-6-3/h5-6H,2-4,7-11H2,1H3
InChIKeyCMASVQJEKUZMQH-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.77
Rot. Bonds8

About N,N-bis(prop-2-enyl)hexanamide

N,N-bis(prop-2-enyl)hexanamide (PubChem CID 3546331) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)hexanamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)hexanamide
PubChem CID3546331
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN,N-bis(prop-2-enyl)hexanamide
SMILESC=CCN(CC=C)C(=O)CCCCC
InChIInChI=1S/C12H21NO/c1-4-7-8-9-12(14)13(10-5-2)11-6-3/h5-6H,2-4,7-11H2,1H3
InChIKeyCMASVQJEKUZMQH-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.77
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'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)hexanamide?
The IUPAC name of N,N-bis(prop-2-enyl)hexanamide (CID 3546331) is N,N-bis(prop-2-enyl)hexanamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)hexanamide?
The canonical SMILES for N,N-bis(prop-2-enyl)hexanamide is C=CCN(CC=C)C(=O)CCCCC.
What is the InChIKey of N,N-bis(prop-2-enyl)hexanamide?
The InChIKey is CMASVQJEKUZMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-7-8-9-12(14)13(10-5-2)11-6-3/h5-6H,2-4,7-11H2,1H3.
What are the key properties of N,N-bis(prop-2-enyl)hexanamide?
N,N-bis(prop-2-enyl)hexanamide has a molecular weight of 195.31 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)hexanamide is sourced from PubChem (CID 3546331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).