2-methyl-N,N-bis(prop-2-enyl)butanamide

C11H19NO — CID 4628434

IUPAC2-methyl-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)C(C)CC
InChIInChI=1S/C11H19NO/c1-5-8-12(9-6-2)11(13)10(4)7-3/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyIINXCOPHHHNLRY-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.23
Rot. Bonds6

About 2-methyl-N,N-bis(prop-2-enyl)butanamide

2-methyl-N,N-bis(prop-2-enyl)butanamide (PubChem CID 4628434) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-methyl-N,N-bis(prop-2-enyl)butanamide.

Molecular Properties

Compound Name2-methyl-N,N-bis(prop-2-enyl)butanamide
PubChem CID4628434
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-methyl-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)C(C)CC
InChIInChI=1S/C11H19NO/c1-5-8-12(9-6-2)11(13)10(4)7-3/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyIINXCOPHHHNLRY-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-N,N-bis(prop-2-enyl)butanamide 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-Diallylpivalamide
CID 4418346
N,N-diethyl-2-fluoro-3-methylpent-4-enamide
CID 86259336
2-ethyl-N,N-bis(prop-2-enyl)butanamide
CID 3300543
3-Methyl-N-2-propen-1-ylbutanamide
CID 4070754
N,N-diallylisobutyramide
CID 4679169
3-Methyl-1-pyrrolidin-1-ylpent-4-en-1-one
CID 118493260
N-allyl-N-methylpentanamide
CID 135391089
2-fluoro-N-methyl-N-prop-2-enylbutanamide
CID 90392547
n,n-Di(prop-2-en-1-yl)propanamide
CID 246342
N-Allyl-2,2,N-trimethylpropionamide
CID 546192
N,N-bis(prop-2-enyl)butanamide
CID 4327950
3-methyl-N,N-di(prop-2-en-1-yl)butanamide
CID 4403931

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-bis(prop-2-enyl)butanamide?
The IUPAC name of 2-methyl-N,N-bis(prop-2-enyl)butanamide (CID 4628434) is 2-methyl-N,N-bis(prop-2-enyl)butanamide.
What is the SMILES notation for 2-methyl-N,N-bis(prop-2-enyl)butanamide?
The canonical SMILES for 2-methyl-N,N-bis(prop-2-enyl)butanamide is C=CCN(CC=C)C(=O)C(C)CC.
What is the InChIKey of 2-methyl-N,N-bis(prop-2-enyl)butanamide?
The InChIKey is IINXCOPHHHNLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-8-12(9-6-2)11(13)10(4)7-3/h5-6,10H,1-2,7-9H2,3-4H3.
What are the key properties of 2-methyl-N,N-bis(prop-2-enyl)butanamide?
2-methyl-N,N-bis(prop-2-enyl)butanamide has a molecular weight of 181.28 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis(prop-2-enyl)butanamide is sourced from PubChem (CID 4628434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).