3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide

C15H22N2O3 — CID 47120479

IUPAC3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCC(=O)NCCC(=O)N(C)CCOc1ccc(C)cc1
InChIInChI=1S/C15H22N2O3/c1-12-4-6-14(7-5-12)20-11-10-17(3)15(19)8-9-16-13(2)18/h4-7H,8-11H2,1-3H3,(H,16,18)
InChIKeyHERDJLCNRNMLFQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.36
Rot. Bonds7

About 3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide

3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide (PubChem CID 47120479) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
PubChem CID47120479
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCC(=O)NCCC(=O)N(C)CCOc1ccc(C)cc1
InChIInChI=1S/C15H22N2O3/c1-12-4-6-14(7-5-12)20-11-10-17(3)15(19)8-9-16-13(2)18/h4-7H,8-11H2,1-3H3,(H,16,18)
InChIKeyHERDJLCNRNMLFQ-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-acetamido-N-methyl-N-[2-(4-methylphenoxy)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

N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 60938139
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
3-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 24660216
methyl 3-[methyl-[4-(4-methylphenoxy)butanoyl]amino]propanoate
CID 61030939
2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide
CID 142802550
4-[3-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-oxopropyl]benzoic acid
CID 119179858
3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 134049964
3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 64685287
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287117
2-methyl-N-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]benzamide
CID 51241984
4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide
CID 9429637

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The IUPAC name of 3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide (CID 47120479) is 3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The canonical SMILES for 3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide is CC(=O)NCCC(=O)N(C)CCOc1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The InChIKey is HERDJLCNRNMLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12-4-6-14(7-5-12)20-11-10-17(3)15(19)8-9-16-13(2)18/h4-7H,8-11H2,1-3H3,(H,16,18).
What are the key properties of 3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 47120479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).