N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide

C14H22N2O — CID 62505147

IUPACN-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide
SMILESCCN(CCN)C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C14H22N2O/c1-3-16(11-10-15)14(17)9-8-13-6-4-12(2)5-7-13/h4-7H,3,8-11,15H2,1-2H3
InChIKeyQFJOVIJFNLNAKD-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.73
Rot. Bonds6

About N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide

N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide (PubChem CID 62505147) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide
PubChem CID62505147
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide
SMILESCCN(CCN)C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C14H22N2O/c1-3-16(11-10-15)14(17)9-8-13-6-4-12(2)5-7-13/h4-7H,3,8-11,15H2,1-2H3
InChIKeyQFJOVIJFNLNAKD-UHFFFAOYSA-N
XLogP1.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)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-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide
CID 60702090
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
N-(2-bromoethyl)-3-(4-methylphenyl)-N-propylpropanamide
CID 80661193
2-[carboxymethyl-[3-(4-methylphenyl)propanoyl]amino]acetic acid
CID 63651230
N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide
CID 62367401
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037
3-[3-hydroxypropyl-[3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 82325805
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
N,N-diethyl-3-pyridin-4-ylpropanamide
CID 78878654
N-(3-amino-3-sulfanylidenepropyl)-3-(4-methylphenyl)-N-prop-2-enylpropanamide
CID 82103858
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide (CID 62505147) is N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide is CCN(CCN)C(=O)CCc1ccc(C)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide?
The InChIKey is QFJOVIJFNLNAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-16(11-10-15)14(17)9-8-13-6-4-12(2)5-7-13/h4-7H,3,8-11,15H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide?
N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide has a molecular weight of 234.34 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 62505147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).