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

C12H21NO — CID 3300543

IUPAC2-ethyl-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)C(CC)CC
InChIInChI=1S/C12H21NO/c1-5-9-13(10-6-2)12(14)11(7-3)8-4/h5-6,11H,1-2,7-10H2,3-4H3
InChIKeyXVHQBULXBQIUTC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.62
Rot. Bonds7

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

2-ethyl-N,N-bis(prop-2-enyl)butanamide (PubChem CID 3300543) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-ethyl-N,N-bis(prop-2-enyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N,N-bis(prop-2-enyl)butanamide
PubChem CID3300543
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-ethyl-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)C(CC)CC
InChIInChI=1S/C12H21NO/c1-5-9-13(10-6-2)12(14)11(7-3)8-4/h5-6,11H,1-2,7-10H2,3-4H3
InChIKeyXVHQBULXBQIUTC-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-bis(prop-2-enyl)butanamide?
The IUPAC name of 2-ethyl-N,N-bis(prop-2-enyl)butanamide (CID 3300543) is 2-ethyl-N,N-bis(prop-2-enyl)butanamide.
What is the SMILES notation for 2-ethyl-N,N-bis(prop-2-enyl)butanamide?
The canonical SMILES for 2-ethyl-N,N-bis(prop-2-enyl)butanamide is C=CCN(CC=C)C(=O)C(CC)CC.
What is the InChIKey of 2-ethyl-N,N-bis(prop-2-enyl)butanamide?
The InChIKey is XVHQBULXBQIUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-9-13(10-6-2)12(14)11(7-3)8-4/h5-6,11H,1-2,7-10H2,3-4H3.
What are the key properties of 2-ethyl-N,N-bis(prop-2-enyl)butanamide?
2-ethyl-N,N-bis(prop-2-enyl)butanamide has a molecular weight of 195.31 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-bis(prop-2-enyl)butanamide is sourced from PubChem (CID 3300543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).