(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide

C15H23ClN2O — CID 61163352

IUPAC(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C15H23ClN2O/c1-4-18(15(19)14(17)8-11(2)3)10-12-6-5-7-13(16)9-12/h5-7,9,11,14H,4,8,10,17H2,1-3H3/t14-/m0/s1
InChIKeyPESRGDXZBIDOFK-AWEZNQCLSA-N
MW282.81 g/mol
LogP3.06
Rot. Bonds6

About (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide

(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide (PubChem CID 61163352) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide
PubChem CID61163352
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C15H23ClN2O/c1-4-18(15(19)14(17)8-11(2)3)10-12-6-5-7-13(16)9-12/h5-7,9,11,14H,4,8,10,17H2,1-3H3/t14-/m0/s1
InChIKeyPESRGDXZBIDOFK-AWEZNQCLSA-N
XLogP3.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119289151
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
5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
CID 82852385
N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119722995
(2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 61163051
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide
CID 119722974
(2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 119767637
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methylpentanamide
CID 54869465

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide (CID 61163352) is (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide is CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide?
The InChIKey is PESRGDXZBIDOFK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-4-18(15(19)14(17)8-11(2)3)10-12-6-5-7-13(16)9-12/h5-7,9,11,14H,4,8,10,17H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide?
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide has a molecular weight of 282.81 g/mol, XLogP of 3.06, 6 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-ethyl-4-methylpentanamide is sourced from PubChem (CID 61163352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).