N-benzyl-N-ethyl-3-(3-methylanilino)propanamide

C19H24N2O — CID 109022921

IUPACN-benzyl-N-ethyl-3-(3-methylanilino)propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNc1cccc(C)c1
InChIInChI=1S/C19H24N2O/c1-3-21(15-17-9-5-4-6-10-17)19(22)12-13-20-18-11-7-8-16(2)14-18/h4-11,14,20H,3,12-13,15H2,1-2H3
InChIKeyAUBJSZUSZDVSPO-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.85
Rot. Bonds7

About N-benzyl-N-ethyl-3-(3-methylanilino)propanamide

N-benzyl-N-ethyl-3-(3-methylanilino)propanamide (PubChem CID 109022921) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-(3-methylanilino)propanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-(3-methylanilino)propanamide
PubChem CID109022921
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-benzyl-N-ethyl-3-(3-methylanilino)propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNc1cccc(C)c1
InChIInChI=1S/C19H24N2O/c1-3-21(15-17-9-5-4-6-10-17)19(22)12-13-20-18-11-7-8-16(2)14-18/h4-11,14,20H,3,12-13,15H2,1-2H3
InChIKeyAUBJSZUSZDVSPO-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide
CID 109022997
N-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide
CID 109023018
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992909
N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109023020
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
CID 60854868
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide
CID 108947341
N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide
CID 54934589
N-butyl-N-methyl-3-(3-methylanilino)propanamide
CID 109032339
N-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide
CID 109023002

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-(3-methylanilino)propanamide?
The IUPAC name of N-benzyl-N-ethyl-3-(3-methylanilino)propanamide (CID 109022921) is N-benzyl-N-ethyl-3-(3-methylanilino)propanamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-(3-methylanilino)propanamide?
The canonical SMILES for N-benzyl-N-ethyl-3-(3-methylanilino)propanamide is CCN(Cc1ccccc1)C(=O)CCNc1cccc(C)c1.
What is the InChIKey of N-benzyl-N-ethyl-3-(3-methylanilino)propanamide?
The InChIKey is AUBJSZUSZDVSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-21(15-17-9-5-4-6-10-17)19(22)12-13-20-18-11-7-8-16(2)14-18/h4-11,14,20H,3,12-13,15H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-3-(3-methylanilino)propanamide?
N-benzyl-N-ethyl-3-(3-methylanilino)propanamide has a molecular weight of 296.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-(3-methylanilino)propanamide is sourced from PubChem (CID 109022921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).