2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide

C13H18ClN3O2 — CID 54871050

IUPAC2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)C(N)CC(N)=O
InChIInChI=1S/C13H18ClN3O2/c1-2-17(13(19)11(15)7-12(16)18)8-9-4-3-5-10(14)6-9/h3-6,11H,2,7-8,15H2,1H3,(H2,16,18)
InChIKeyRDKUZAKIIAKCAD-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.89
Rot. Bonds6

About 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide

2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide (PubChem CID 54871050) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide.

Molecular Properties

Compound Name2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide
PubChem CID54871050
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)C(N)CC(N)=O
InChIInChI=1S/C13H18ClN3O2/c1-2-17(13(19)11(15)7-12(16)18)8-9-4-3-5-10(14)6-9/h3-6,11H,2,7-8,15H2,1H3,(H2,16,18)
InChIKeyRDKUZAKIIAKCAD-UHFFFAOYSA-N
XLogP0.89
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[(3-chlorophenyl)methyl-ethylamino]-4-oxobutanoic acid
CID 64896505
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119289151
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 61163352
2-amino-N-benzyl-N-ethylbutanediamide
CID 54928160
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylsulfanylbutanamide
CID 104907715
N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514771
3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119723003
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide
CID 119722974
5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
CID 82852385
N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119722995
3-amino-4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutanoic acid
CID 64896697
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 64684682

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide?
The IUPAC name of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide (CID 54871050) is 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide.
What is the SMILES notation for 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide?
The canonical SMILES for 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide is CCN(Cc1cccc(Cl)c1)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide?
The InChIKey is RDKUZAKIIAKCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-2-17(13(19)11(15)7-12(16)18)8-9-4-3-5-10(14)6-9/h3-6,11H,2,7-8,15H2,1H3,(H2,16,18).
What are the key properties of 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide?
2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide has a molecular weight of 283.76 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide is sourced from PubChem (CID 54871050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).