3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide

C19H23ClN2O — CID 109023093

IUPAC3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
SMILESCCN(CCC(=O)Nc1cc(Cl)ccc1C)Cc1ccccc1
InChIInChI=1S/C19H23ClN2O/c1-3-22(14-16-7-5-4-6-8-16)12-11-19(23)21-18-13-17(20)10-9-15(18)2/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,23)
InChIKeyOCYYMTNCHYNEDJ-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.50
Rot. Bonds7

About 3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide

3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide (PubChem CID 109023093) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
PubChem CID109023093
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
SMILESCCN(CCC(=O)Nc1cc(Cl)ccc1C)Cc1ccccc1
InChIInChI=1S/C19H23ClN2O/c1-3-22(14-16-7-5-4-6-8-16)12-11-19(23)21-18-13-17(20)10-9-15(18)2/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,23)
InChIKeyOCYYMTNCHYNEDJ-UHFFFAOYSA-N
XLogP4.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[benzyl(ethyl)amino]-N-(5-chloro-2-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-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride
CID 3066358
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
CID 109023113
3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid
CID 171154393
2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012162
3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 109023136
2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 16554961
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 4284031
N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115573461
N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135966
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113119173
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide (CID 109023093) is 3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide is CCN(CCC(=O)Nc1cc(Cl)ccc1C)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide?
The InChIKey is OCYYMTNCHYNEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-3-22(14-16-7-5-4-6-8-16)12-11-19(23)21-18-13-17(20)10-9-15(18)2/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,23).
What are the key properties of 3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide?
3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide has a molecular weight of 330.86 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 109023093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).