3-(diethylamino)-N-phenylbutanamide

C14H22N2O — CID 26329

💊View drug profile → octacaine
IUPAC3-(diethylamino)-N-phenylbutanamide
SMILESCCN(CC)C(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-16(5-2)12(3)11-14(17)15-13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,15,17)
InChIKeyHKOURKRGAFKVFP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.75
Rot. Bonds6

About 3-(diethylamino)-N-phenylbutanamide

3-(diethylamino)-N-phenylbutanamide (PubChem CID 26329) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(diethylamino)-N-phenylbutanamide.

Molecular Properties

Compound Name3-(diethylamino)-N-phenylbutanamide
PubChem CID26329
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(diethylamino)-N-phenylbutanamide
SMILESCCN(CC)C(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-16(5-2)12(3)11-14(17)15-13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,15,17)
InChIKeyHKOURKRGAFKVFP-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(diethylamino)-N-phenylbutanamide 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

Acetanilide
CID 904
2-Methylacetanilide
CID 12107
m-Aminoacetanilide
CID 7604
4-Aminoacetanilide
CID 31230
Butylacetanilide
CID 7051
Acetoacetanilide
CID 7592
4-(N-Propionylaniline)piperidine
CID 259381
Adipic dianilide
CID 20523
2-Aminoacetanilide
CID 208384
N-Ethyl-N-phenylacetamide
CID 10727
N-Methylacetanilide
CID 11364
N-(4-Iodophenyl)acetamide
CID 12147

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-phenylbutanamide?
The IUPAC name of 3-(diethylamino)-N-phenylbutanamide (CID 26329) is 3-(diethylamino)-N-phenylbutanamide.
What is the SMILES notation for 3-(diethylamino)-N-phenylbutanamide?
The canonical SMILES for 3-(diethylamino)-N-phenylbutanamide is CCN(CC)C(C)CC(=O)Nc1ccccc1.
What is the InChIKey of 3-(diethylamino)-N-phenylbutanamide?
The InChIKey is HKOURKRGAFKVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-16(5-2)12(3)11-14(17)15-13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,15,17).
What are the key properties of 3-(diethylamino)-N-phenylbutanamide?
3-(diethylamino)-N-phenylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-phenylbutanamide is sourced from PubChem (CID 26329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).