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

C17H28N2O — CID 109023063

IUPAC3-[benzyl(ethyl)amino]-N-(3-methylbutyl)propanamide
SMILESCCN(CCC(=O)NCCC(C)C)Cc1ccccc1
InChIInChI=1S/C17H28N2O/c1-4-19(14-16-8-6-5-7-9-16)13-11-17(20)18-12-10-15(2)3/h5-9,15H,4,10-14H2,1-3H3,(H,18,20)
InChIKeySWUJMZVHYROZCJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.06
Rot. Bonds9

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

3-[benzyl(ethyl)amino]-N-(3-methylbutyl)propanamide (PubChem CID 109023063) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-N-(3-methylbutyl)propanamide
PubChem CID109023063
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-[benzyl(ethyl)amino]-N-(3-methylbutyl)propanamide
SMILESCCN(CCC(=O)NCCC(C)C)Cc1ccccc1
InChIInChI=1S/C17H28N2O/c1-4-19(14-16-8-6-5-7-9-16)13-11-17(20)18-12-10-15(2)3/h5-9,15H,4,10-14H2,1-3H3,(H,18,20)
InChIKeySWUJMZVHYROZCJ-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(ethyl)amino]-N-(3-methoxypropyl)propanamide
CID 109015351
2-(N-benzylanilino)-N-(3-methylbutyl)acetamide
CID 109005918
N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide
CID 46343167
N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide
CID 51362720
3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide
CID 113122843
methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate
CID 78815356
N-[3-[benzyl(methyl)amino]butyl]octadecanamide;hydrochloride
CID 175021170
3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 109023093
N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide
CID 108951176
N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide
CID 133148950
methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
CID 109023113
3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide
CID 1340180

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[benzyl(ethyl)amino]-N-(3-methylbutyl)propanamide (CID 109023063) is 3-[benzyl(ethyl)amino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[benzyl(ethyl)amino]-N-(3-methylbutyl)propanamide is CCN(CCC(=O)NCCC(C)C)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethyl)amino]-N-(3-methylbutyl)propanamide?
The InChIKey is SWUJMZVHYROZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-19(14-16-8-6-5-7-9-16)13-11-17(20)18-12-10-15(2)3/h5-9,15H,4,10-14H2,1-3H3,(H,18,20).
What are the key properties of 3-[benzyl(ethyl)amino]-N-(3-methylbutyl)propanamide?
3-[benzyl(ethyl)amino]-N-(3-methylbutyl)propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.06, 9 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-(3-methylbutyl)propanamide is sourced from PubChem (CID 109023063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).