(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride

C15H24Cl2N2O2 — CID 119807149

IUPAC(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCC(C)Oc1cccc(Cl)c1.Cl
InChIInChI=1S/C15H23ClN2O2.ClH/c1-10(2)7-14(17)15(19)18-9-11(3)20-13-6-4-5-12(16)8-13;/h4-6,8,10-11,14H,7,9,17H2,1-3H3,(H,18,19);1H/t11?,14-;/m0./s1
InChIKeyJJCYJNIYLXUYLZ-WKRKBMNRSA-N
MW335.28 g/mol
LogP3.02
Rot. Bonds7

About (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride (PubChem CID 119807149) has the molecular formula C15H24Cl2N2O2 and a molecular weight of 335.28 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride
PubChem CID119807149
Molecular FormulaC15H24Cl2N2O2
Molecular Weight335.28 g/mol
Exact Mass334.12
IUPAC Name(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCC(C)Oc1cccc(Cl)c1.Cl
InChIInChI=1S/C15H23ClN2O2.ClH/c1-10(2)7-14(17)15(19)18-9-11(3)20-13-6-4-5-12(16)8-13;/h4-6,8,10-11,14H,7,9,17H2,1-3H3,(H,18,19);1H/t11?,14-;/m0./s1
InChIKeyJJCYJNIYLXUYLZ-WKRKBMNRSA-N
XLogP3.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119336981
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119336983
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride
CID 119735014
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide
CID 119807122
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119807127
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119807128
3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride
CID 119336975
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804840
(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804898
4-[2-(3-chlorophenoxy)propylcarbamoylamino]butanoic acid
CID 122004038
2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride
CID 119335567

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride (CID 119807149) is (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCC(C)Oc1cccc(Cl)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride?
The InChIKey is JJCYJNIYLXUYLZ-WKRKBMNRSA-N. The full InChI is InChI=1S/C15H23ClN2O2.ClH/c1-10(2)7-14(17)15(19)18-9-11(3)20-13-6-4-5-12(16)8-13;/h4-6,8,10-11,14H,7,9,17H2,1-3H3,(H,18,19);1H/t11?,14-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride has a molecular weight of 335.28 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119807149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).