N-benzyl-3-(2-ethylanilino)propanamide

C18H22N2O — CID 109018815

IUPACN-benzyl-3-(2-ethylanilino)propanamide
SMILESCCc1ccccc1NCCC(=O)NCc1ccccc1
InChIInChI=1S/C18H22N2O/c1-2-16-10-6-7-11-17(16)19-13-12-18(21)20-14-15-8-4-3-5-9-15/h3-11,19H,2,12-14H2,1H3,(H,20,21)
InChIKeyJAGYIMPFLHHXIC-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.37
Rot. Bonds7

About N-benzyl-3-(2-ethylanilino)propanamide

N-benzyl-3-(2-ethylanilino)propanamide (PubChem CID 109018815) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-benzyl-3-(2-ethylanilino)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-ethylanilino)propanamide
PubChem CID109018815
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-benzyl-3-(2-ethylanilino)propanamide
SMILESCCc1ccccc1NCCC(=O)NCc1ccccc1
InChIInChI=1S/C18H22N2O/c1-2-16-10-6-7-11-17(16)19-13-12-18(21)20-14-15-8-4-3-5-9-15/h3-11,19H,2,12-14H2,1H3,(H,20,21)
InChIKeyJAGYIMPFLHHXIC-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide
CID 109021695
3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 109021070
N-benzyl-3-(2-methoxyanilino)propanamide
CID 109018840
N-benzyl-N'-(2-ethylphenyl)propanediamide
CID 108945270
N-tert-butyl-3-(2-ethylanilino)propanamide
CID 109031330
N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide
CID 109027923
N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 18083031
3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019490
N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide
CID 133279513
1-(4-benzylpiperazin-1-yl)-3-(2-ethylanilino)propan-1-one
CID 109026883
N-benzyl-3-chloropropanamide
CID 10391

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-ethylanilino)propanamide?
The IUPAC name of N-benzyl-3-(2-ethylanilino)propanamide (CID 109018815) is N-benzyl-3-(2-ethylanilino)propanamide.
What is the SMILES notation for N-benzyl-3-(2-ethylanilino)propanamide?
The canonical SMILES for N-benzyl-3-(2-ethylanilino)propanamide is CCc1ccccc1NCCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(2-ethylanilino)propanamide?
The InChIKey is JAGYIMPFLHHXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-16-10-6-7-11-17(16)19-13-12-18(21)20-14-15-8-4-3-5-9-15/h3-11,19H,2,12-14H2,1H3,(H,20,21).
What are the key properties of N-benzyl-3-(2-ethylanilino)propanamide?
N-benzyl-3-(2-ethylanilino)propanamide has a molecular weight of 282.39 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-ethylanilino)propanamide is sourced from PubChem (CID 109018815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).