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

C21H28N2O — CID 109023151

IUPAC3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(CCC(=O)N(CC)c1cccc(C)c1)Cc1ccccc1
InChIInChI=1S/C21H28N2O/c1-4-22(17-19-11-7-6-8-12-19)15-14-21(24)23(5-2)20-13-9-10-18(3)16-20/h6-13,16H,4-5,14-15,17H2,1-3H3
InChIKeyGREVCEBXRIGWFW-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.26
Rot. Bonds8

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

3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide (PubChem CID 109023151) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
PubChem CID109023151
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(CCC(=O)N(CC)c1cccc(C)c1)Cc1ccccc1
InChIInChI=1S/C21H28N2O/c1-4-22(17-19-11-7-6-8-12-19)15-14-21(24)23(5-2)20-13-9-10-18(3)16-20/h6-13,16H,4-5,14-15,17H2,1-3H3
InChIKeyGREVCEBXRIGWFW-UHFFFAOYSA-N
XLogP4.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109032470
N-ethyl-N-(3-methylphenyl)-3-phenoxypropanamide
CID 113099032
3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113125493
ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
CID 60737731
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138845
N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide
CID 21488716
N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151893
N-(3,5-dimethylphenyl)-N-ethyl-3-phenylpropanamide
CID 52574490
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide (CID 109023151) is 3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide is CCN(CCC(=O)N(CC)c1cccc(C)c1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide?
The InChIKey is GREVCEBXRIGWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-4-22(17-19-11-7-6-8-12-19)15-14-21(24)23(5-2)20-13-9-10-18(3)16-20/h6-13,16H,4-5,14-15,17H2,1-3H3.
What are the key properties of 3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide?
3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide has a molecular weight of 324.47 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 109023151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).