3,3-dimethyl-N-pent-2-en-3-ylbutanamide

C11H21NO — CID 123172686

IUPAC3,3-dimethyl-N-pent-2-en-3-ylbutanamide
SMILESCC=C(CC)NC(=O)CC(C)(C)C
InChIInChI=1S/C11H21NO/c1-6-9(7-2)12-10(13)8-11(3,4)5/h6H,7-8H2,1-5H3,(H,12,13)
InChIKeyAPXFEVAGQNEMIT-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.85
Rot. Bonds3

About 3,3-dimethyl-N-pent-2-en-3-ylbutanamide

3,3-dimethyl-N-pent-2-en-3-ylbutanamide (PubChem CID 123172686) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3,3-dimethyl-N-pent-2-en-3-ylbutanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-pent-2-en-3-ylbutanamide
PubChem CID123172686
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3,3-dimethyl-N-pent-2-en-3-ylbutanamide
SMILESCC=C(CC)NC(=O)CC(C)(C)C
InChIInChI=1S/C11H21NO/c1-6-9(7-2)12-10(13)8-11(3,4)5/h6H,7-8H2,1-5H3,(H,12,13)
InChIKeyAPXFEVAGQNEMIT-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyl-N-pent-2-en-3-ylbutanamide 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 3,3-dimethyl-N-pent-2-en-3-ylbutanamide?
The IUPAC name of 3,3-dimethyl-N-pent-2-en-3-ylbutanamide (CID 123172686) is 3,3-dimethyl-N-pent-2-en-3-ylbutanamide.
What is the SMILES notation for 3,3-dimethyl-N-pent-2-en-3-ylbutanamide?
The canonical SMILES for 3,3-dimethyl-N-pent-2-en-3-ylbutanamide is CC=C(CC)NC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-pent-2-en-3-ylbutanamide?
The InChIKey is APXFEVAGQNEMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-9(7-2)12-10(13)8-11(3,4)5/h6H,7-8H2,1-5H3,(H,12,13).
What are the key properties of 3,3-dimethyl-N-pent-2-en-3-ylbutanamide?
3,3-dimethyl-N-pent-2-en-3-ylbutanamide has a molecular weight of 183.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-pent-2-en-3-ylbutanamide is sourced from PubChem (CID 123172686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).