3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide

C14H20N2O2 — CID 110354308

IUPAC3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
SMILESCC(=O)NCCC(=O)NCCc1cccc(C)c1
InChIInChI=1S/C14H20N2O2/c1-11-4-3-5-13(10-11)6-8-16-14(18)7-9-15-12(2)17/h3-5,10H,6-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyLNKDXPMZNWSRKF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.18
Rot. Bonds6

About 3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide

3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide (PubChem CID 110354308) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
PubChem CID110354308
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
SMILESCC(=O)NCCC(=O)NCCc1cccc(C)c1
InChIInChI=1S/C14H20N2O2/c1-11-4-3-5-13(10-11)6-8-16-14(18)7-9-15-12(2)17/h3-5,10H,6-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyLNKDXPMZNWSRKF-UHFFFAOYSA-N
XLogP1.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide 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

5-[2-(3-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 62314996
5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide
CID 79199375
6-[2-(3-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 62315187
4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride
CID 119745493
N-ethyl-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 62325702
N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019632
3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314321
3-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110307624
1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910466
3-(3-methylphenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]propanamide
CID 110789216
N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide
CID 110288608
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide (CID 110354308) is 3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide is CC(=O)NCCC(=O)NCCc1cccc(C)c1.
What is the InChIKey of 3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide?
The InChIKey is LNKDXPMZNWSRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-4-3-5-13(10-11)6-8-16-14(18)7-9-15-12(2)17/h3-5,10H,6-9H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide?
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 110354308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).