N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide

C13H19NO2 — CID 134579946

IUPACN-methyl-2-[3-(4-methylphenyl)propoxy]acetamide
SMILESCNC(=O)COCCCc1ccc(C)cc1
InChIInChI=1S/C13H19NO2/c1-11-5-7-12(8-6-11)4-3-9-16-10-13(15)14-2/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)
InChIKeyZMGXABYYIVPFCB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.69
Rot. Bonds6

About N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide

N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide (PubChem CID 134579946) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-(4-methylphenyl)propoxy]acetamide
PubChem CID134579946
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-methyl-2-[3-(4-methylphenyl)propoxy]acetamide
SMILESCNC(=O)COCCCc1ccc(C)cc1
InChIInChI=1S/C13H19NO2/c1-11-5-7-12(8-6-11)4-3-9-16-10-13(15)14-2/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)
InChIKeyZMGXABYYIVPFCB-UHFFFAOYSA-N
XLogP1.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide 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-2-[4-(4-methylphenyl)butoxy]acetamide
CID 134579947
1-(methylamino)-3-[3-(4-methylphenyl)propoxy]propan-2-one
CID 171071287
N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide
CID 134582626
N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide
CID 159463012
2-[3-[2-[4-[[1-hydroxy-7-(4-methylphenyl)heptyl]amino]phenoxy]ethoxy]propoxy]-N-methylacetamide
CID 167241916
2-[5-(4-methylphenyl)pentoxy]ethanol
CID 57171652
2-(2-aminoethoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 79464439
1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
CID 141394605
2-[5-(4-methylphenyl)pentoxy]ethyl acetate
CID 57045041
N-methyl-2-[2-[2-[2-[4-methyl-2-[5-methyl-2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]phenyl]phenoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 135216825
N-[2-[2-[2-[[(5S)-5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethyl]-4-(4-methylphenyl)butanamide
CID 163386284
[2-(methylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773184

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide?
The IUPAC name of N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide (CID 134579946) is N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide.
What is the SMILES notation for N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide?
The canonical SMILES for N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide is CNC(=O)COCCCc1ccc(C)cc1.
What is the InChIKey of N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide?
The InChIKey is ZMGXABYYIVPFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-11-5-7-12(8-6-11)4-3-9-16-10-13(15)14-2/h5-8H,3-4,9-10H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide?
N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide is sourced from PubChem (CID 134579946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).