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

C13H20Cl2N2O — CID 119723003

IUPAC3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
SMILESCCN(Cc1cccc(Cl)c1)C(=O)CC(C)N.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-3-16(13(17)7-10(2)15)9-11-5-4-6-12(14)8-11;/h4-6,8,10H,3,7,9,15H2,1-2H3;1H
InChIKeyAZSDHKWPBFXIQM-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.85
Rot. Bonds5

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

3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride (PubChem CID 119723003) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
PubChem CID119723003
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
SMILESCCN(Cc1cccc(Cl)c1)C(=O)CC(C)N.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-3-16(13(17)7-10(2)15)9-11-5-4-6-12(14)8-11;/h4-6,8,10H,3,7,9,15H2,1-2H3;1H
InChIKeyAZSDHKWPBFXIQM-UHFFFAOYSA-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

5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
CID 82852385
3-amino-N-[(3-bromophenyl)methyl]-N-ethylbutanamide
CID 119722122
(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-[(3-chlorophenyl)methyl]-N-ethylbutanediamide
CID 54871050
3-amino-4-[(3-chlorophenyl)methyl-ethylamino]-4-oxobutanoic acid
CID 64896505
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 64684682
2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 60940145
2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 64684681
N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514771
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119722995

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride (CID 119723003) is 3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride is CCN(Cc1cccc(Cl)c1)C(=O)CC(C)N.Cl.
What is the InChIKey of 3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride?
The InChIKey is AZSDHKWPBFXIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O.ClH/c1-3-16(13(17)7-10(2)15)9-11-5-4-6-12(14)8-11;/h4-6,8,10H,3,7,9,15H2,1-2H3;1H.
What are the key properties of 3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride?
3-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 3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride is sourced from PubChem (CID 119723003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).