2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide

C14H22N2O — CID 119432439

IUPAC2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide
SMILESCCc1ccc(CC(=O)NCCCNC)cc1
InChIInChI=1S/C14H22N2O/c1-3-12-5-7-13(8-6-12)11-14(17)16-10-4-9-15-2/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyABIMXLFENCFJAV-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.52
Rot. Bonds7

About 2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide

2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide (PubChem CID 119432439) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide
PubChem CID119432439
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide
SMILESCCc1ccc(CC(=O)NCCCNC)cc1
InChIInChI=1S/C14H22N2O/c1-3-12-5-7-13(8-6-12)11-14(17)16-10-4-9-15-2/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyABIMXLFENCFJAV-UHFFFAOYSA-N
XLogP1.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-ethylphenyl)-N-[3-(methylamino)propyl]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-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115395
5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid
CID 119235222
1-(4-ethylphenyl)-5-(methylamino)pentan-2-one
CID 116555578
5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119432467
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817
2-(4-ethylphenyl)-N-methylacetamide
CID 56921087
2-(3-hydroxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 61399440
N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide
CID 43601526
2-(3-bromo-4-fluorophenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119432592
N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119433233
2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502206
4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119499870

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide?
The IUPAC name of 2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide (CID 119432439) is 2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide is CCc1ccc(CC(=O)NCCCNC)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide?
The InChIKey is ABIMXLFENCFJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-12-5-7-13(8-6-12)11-14(17)16-10-4-9-15-2/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide?
2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide has a molecular weight of 234.34 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide is sourced from PubChem (CID 119432439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).