N,N-dimethyl-3-phenylbutanamide

C12H17NO — CID 12640868

IUPACN,N-dimethyl-3-phenylbutanamide
SMILESCC(CC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C12H17NO/c1-10(9-12(14)13(2)3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyOQDQKUHGFXVWSO-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.27
Rot. Bonds3

About N,N-dimethyl-3-phenylbutanamide

N,N-dimethyl-3-phenylbutanamide (PubChem CID 12640868) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N,N-dimethyl-3-phenylbutanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-phenylbutanamide
PubChem CID12640868
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN,N-dimethyl-3-phenylbutanamide
SMILESCC(CC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C12H17NO/c1-10(9-12(14)13(2)3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyOQDQKUHGFXVWSO-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethyl-3-phenylbutanamide 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-dimethyl-3-phenylbutanamide?
The IUPAC name of N,N-dimethyl-3-phenylbutanamide (CID 12640868) is N,N-dimethyl-3-phenylbutanamide.
What is the SMILES notation for N,N-dimethyl-3-phenylbutanamide?
The canonical SMILES for N,N-dimethyl-3-phenylbutanamide is CC(CC(=O)N(C)C)c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-phenylbutanamide?
The InChIKey is OQDQKUHGFXVWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(9-12(14)13(2)3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of N,N-dimethyl-3-phenylbutanamide?
N,N-dimethyl-3-phenylbutanamide has a molecular weight of 191.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenylbutanamide is sourced from PubChem (CID 12640868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).