(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride

C13H20Cl2N2O — CID 119289151

IUPAC(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
SMILESCC[C@H](N)C(=O)N(CC)Cc1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-3-12(15)13(17)16(4-2)9-10-6-5-7-11(14)8-10;/h5-8,12H,3-4,9,15H2,1-2H3;1H/t12-;/m0./s1
InChIKeyUUCSPVIFNKLPTB-YDALLXLXSA-N
MW291.22 g/mol
LogP2.85
Rot. Bonds5

About (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride

(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride (PubChem CID 119289151) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
PubChem CID119289151
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
SMILESCC[C@H](N)C(=O)N(CC)Cc1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-3-12(15)13(17)16(4-2)9-10-6-5-7-11(14)8-10;/h5-8,12H,3-4,9,15H2,1-2H3;1H/t12-;/m0./s1
InChIKeyUUCSPVIFNKLPTB-YDALLXLXSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 61163352
2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide
CID 54871050
3-amino-4-[(3-chlorophenyl)methyl-ethylamino]-4-oxobutanoic acid
CID 64896505
(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
N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119722995
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide
CID 119722974
5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
CID 82852385
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 64684682
1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
CID 115618548
2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 60940145

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride (CID 119289151) is (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride is CC[C@H](N)C(=O)N(CC)Cc1cccc(Cl)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride?
The InChIKey is UUCSPVIFNKLPTB-YDALLXLXSA-N. The full InChI is InChI=1S/C13H19ClN2O.ClH/c1-3-12(15)13(17)16(4-2)9-10-6-5-7-11(14)8-10;/h5-8,12H,3-4,9,15H2,1-2H3;1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride?
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride has a molecular weight of 291.22 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride is sourced from PubChem (CID 119289151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).