2-amino-N-benzyl-N-ethylbutanediamide

C13H19N3O2 — CID 54928160

IUPAC2-amino-N-benzyl-N-ethylbutanediamide
SMILESCCN(Cc1ccccc1)C(=O)C(N)CC(N)=O
InChIInChI=1S/C13H19N3O2/c1-2-16(9-10-6-4-3-5-7-10)13(18)11(14)8-12(15)17/h3-7,11H,2,8-9,14H2,1H3,(H2,15,17)
InChIKeySMZJTVLIGVELRQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.24
Rot. Bonds6

About 2-amino-N-benzyl-N-ethylbutanediamide

2-amino-N-benzyl-N-ethylbutanediamide (PubChem CID 54928160) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-ethylbutanediamide.

Molecular Properties

Compound Name2-amino-N-benzyl-N-ethylbutanediamide
PubChem CID54928160
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-N-benzyl-N-ethylbutanediamide
SMILESCCN(Cc1ccccc1)C(=O)C(N)CC(N)=O
InChIInChI=1S/C13H19N3O2/c1-2-16(9-10-6-4-3-5-7-10)13(18)11(14)8-12(15)17/h3-7,11H,2,8-9,14H2,1H3,(H2,15,17)
InChIKeySMZJTVLIGVELRQ-UHFFFAOYSA-N
XLogP0.24
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide
CID 54871050
2-amino-N-benzyl-N-(cyanomethyl)butanediamide
CID 54916654
2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide
CID 136558524
(2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride
CID 119275227
3-amino-4-[(3-chlorophenyl)methyl-ethylamino]-4-oxobutanoic acid
CID 64896505
2-amino-N-benzyl-N-ethyl-3-methylpentanamide;hydrochloride
CID 119674320
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939
2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide
CID 107471113
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
3-amino-4-[benzyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid
CID 64896315
2-amino-3-[[(2S)-2-amino-3-(dibenzylamino)-3-oxopropyl]disulfanyl]-N,N-dibenzylpropanamide
CID 87772747
2-amino-N-benzyl-N-(2-phenylethyl)pentanamide
CID 119264050

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N-ethylbutanediamide?
The IUPAC name of 2-amino-N-benzyl-N-ethylbutanediamide (CID 54928160) is 2-amino-N-benzyl-N-ethylbutanediamide.
What is the SMILES notation for 2-amino-N-benzyl-N-ethylbutanediamide?
The canonical SMILES for 2-amino-N-benzyl-N-ethylbutanediamide is CCN(Cc1ccccc1)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-benzyl-N-ethylbutanediamide?
The InChIKey is SMZJTVLIGVELRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-16(9-10-6-4-3-5-7-10)13(18)11(14)8-12(15)17/h3-7,11H,2,8-9,14H2,1H3,(H2,15,17).
What are the key properties of 2-amino-N-benzyl-N-ethylbutanediamide?
2-amino-N-benzyl-N-ethylbutanediamide has a molecular weight of 249.31 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-ethylbutanediamide is sourced from PubChem (CID 54928160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).