N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide

C13H18N2O3 — CID 110783895

IUPACN-[(3-acetamido-4-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)NCc1ccc(OC)c(NC(C)=O)c1
InChIInChI=1S/C13H18N2O3/c1-4-13(17)14-8-10-5-6-12(18-3)11(7-10)15-9(2)16/h5-7H,4,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyWWSHEFMFAZWAJN-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.68
Rot. Bonds5

About N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide

N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide (PubChem CID 110783895) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(3-acetamido-4-methoxyphenyl)methyl]propanamide
PubChem CID110783895
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(3-acetamido-4-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)NCc1ccc(OC)c(NC(C)=O)c1
InChIInChI=1S/C13H18N2O3/c1-4-13(17)14-8-10-5-6-12(18-3)11(7-10)15-9(2)16/h5-7H,4,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyWWSHEFMFAZWAJN-UHFFFAOYSA-N
XLogP1.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-acetamido-4-methoxyphenyl)methyl]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-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide
CID 13465084
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110783955
N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide
CID 110775274
N-[(3-bromo-4-methoxyphenyl)methyl]propanamide
CID 110780657
N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
N-[5-[[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]methyl]-2-methoxyphenyl]acetamide
CID 111194850
N-[5-[[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 111231056
N-[2-methoxy-5-[[[N-(1-methoxypropan-2-yl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]acetamide
CID 71876058
N-[2-methoxy-5-[[[N'-methyl-N-(5-methylhexan-2-yl)carbamimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111203231
N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794394
N-[2-methoxy-5-[[[N'-methyl-N-(6-methylheptan-2-yl)carbamimidoyl]amino]methyl]phenyl]acetamide
CID 111173719
3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 110764229

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide?
The IUPAC name of N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide (CID 110783895) is N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide is CCC(=O)NCc1ccc(OC)c(NC(C)=O)c1.
What is the InChIKey of N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide?
The InChIKey is WWSHEFMFAZWAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-13(17)14-8-10-5-6-12(18-3)11(7-10)15-9(2)16/h5-7H,4,8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide?
N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide has a molecular weight of 250.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 110783895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).