2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide

C15H24N2O — CID 81301009

IUPAC2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(C)c1cc(C)cc(C)c1
InChIInChI=1S/C15H24N2O/c1-6-16-15(18)13(5)17-12(4)14-8-10(2)7-11(3)9-14/h7-9,12-13,17H,6H2,1-5H3,(H,16,18)
InChIKeyRJGIIUDDHDPBCS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.48
Rot. Bonds5

About 2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide

2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide (PubChem CID 81301009) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide
PubChem CID81301009
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(C)c1cc(C)cc(C)c1
InChIInChI=1S/C15H24N2O/c1-6-16-15(18)13(5)17-12(4)14-8-10(2)7-11(3)9-14/h7-9,12-13,17H,6H2,1-5H3,(H,16,18)
InChIKeyRJGIIUDDHDPBCS-UHFFFAOYSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide 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-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361243
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
CID 81360050
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
CID 81352154
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
2-(3,5-dimethylanilino)-N-ethylpropanamide
CID 43086091
N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
CID 43574139
N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide
CID 43574263
2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-N-pentylpropanamide
CID 81361574
2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-N-prop-2-ynylpropanamide
CID 81356785
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104864899
N-ethyl-2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanamide
CID 43574158
2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226787

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide?
The IUPAC name of 2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide (CID 81301009) is 2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide is CCNC(=O)C(C)NC(C)c1cc(C)cc(C)c1.
What is the InChIKey of 2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide?
The InChIKey is RJGIIUDDHDPBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-6-16-15(18)13(5)17-12(4)14-8-10(2)7-11(3)9-14/h7-9,12-13,17H,6H2,1-5H3,(H,16,18).
What are the key properties of 2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide?
2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide is sourced from PubChem (CID 81301009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).