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

C14H22Cl2N2O2 — CID 119735014

IUPAC(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCOc1cccc(Cl)c1.Cl
InChIInChI=1S/C14H21ClN2O2.ClH/c1-10(2)8-13(16)14(18)17-6-7-19-12-5-3-4-11(15)9-12;/h3-5,9-10,13H,6-8,16H2,1-2H3,(H,17,18);1H/t13-;/m0./s1
InChIKeyAEBOYPCDGZSAOE-ZOWNYOTGSA-N
MW321.25 g/mol
LogP2.63
Rot. Bonds7

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

(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride (PubChem CID 119735014) has the molecular formula C14H22Cl2N2O2 and a molecular weight of 321.25 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride
PubChem CID119735014
Molecular FormulaC14H22Cl2N2O2
Molecular Weight321.25 g/mol
Exact Mass320.11
IUPAC Name(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCOc1cccc(Cl)c1.Cl
InChIInChI=1S/C14H21ClN2O2.ClH/c1-10(2)8-13(16)14(18)17-6-7-19-12-5-3-4-11(15)9-12;/h3-5,9-10,13H,6-8,16H2,1-2H3,(H,17,18);1H/t13-;/m0./s1
InChIKeyAEBOYPCDGZSAOE-ZOWNYOTGSA-N
XLogP2.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride
CID 119295698
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119807149
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 61165412
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
(2S)-2-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-methylpentanamide;dihydrochloride
CID 119900805
1-[2-(3-chlorophenoxy)ethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111179000
2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride
CID 120987025
2-amino-4-(3-chlorophenoxy)butanamide
CID 174561608
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 30794885
4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119295708

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride (CID 119735014) is (2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCCOc1cccc(Cl)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride?
The InChIKey is AEBOYPCDGZSAOE-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H21ClN2O2.ClH/c1-10(2)8-13(16)14(18)17-6-7-19-12-5-3-4-11(15)9-12;/h3-5,9-10,13H,6-8,16H2,1-2H3,(H,17,18);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride has a molecular weight of 321.25 g/mol, XLogP of 2.63, 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)ethyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119735014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).