2-[benzyl(ethyl)amino]-3-methylbutanamide

C14H22N2O — CID 82041322

IUPAC2-[benzyl(ethyl)amino]-3-methylbutanamide
SMILESCCN(Cc1ccccc1)C(C(N)=O)C(C)C
InChIInChI=1S/C14H22N2O/c1-4-16(13(11(2)3)14(15)17)10-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H2,15,17)
InChIKeyQNNJNZMZABRMTM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.02
Rot. Bonds6

About 2-[benzyl(ethyl)amino]-3-methylbutanamide

2-[benzyl(ethyl)amino]-3-methylbutanamide (PubChem CID 82041322) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-3-methylbutanamide
PubChem CID82041322
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[benzyl(ethyl)amino]-3-methylbutanamide
SMILESCCN(Cc1ccccc1)C(C(N)=O)C(C)C
InChIInChI=1S/C14H22N2O/c1-4-16(13(11(2)3)14(15)17)10-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H2,15,17)
InChIKeyQNNJNZMZABRMTM-UHFFFAOYSA-N
XLogP2.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[benzyl(ethyl)amino]-3-methylbutanamide 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

(4S)-4-(dibenzylamino)-5-methylhexan-3-one
CID 14934525
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
benzyl (2S)-2-(dibenzylamino)-3-methylbutanoate
CID 11280665
3-[benzyl(ethyl)amino]-2-methylbutanoic acid
CID 79406218
3-[benzyl(ethyl)amino]-4-oxobutanoic acid
CID 142656024
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
(2S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 118253863
(2R,3S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 101125949
(2R)-2-(dibenzylamino)pentan-3-one
CID 11219765
3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
3-(dibenzylamino)-4-methylhexane-2,5-dione
CID 135163861
3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide
CID 55031850

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-3-methylbutanamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-3-methylbutanamide (CID 82041322) is 2-[benzyl(ethyl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-3-methylbutanamide is CCN(Cc1ccccc1)C(C(N)=O)C(C)C.
What is the InChIKey of 2-[benzyl(ethyl)amino]-3-methylbutanamide?
The InChIKey is QNNJNZMZABRMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-16(13(11(2)3)14(15)17)10-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H2,15,17).
What are the key properties of 2-[benzyl(ethyl)amino]-3-methylbutanamide?
2-[benzyl(ethyl)amino]-3-methylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-3-methylbutanamide is sourced from PubChem (CID 82041322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).