2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride

C14H22Cl2N2O2 — CID 119715576

IUPAC2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(OCC)c(Cl)c1.Cl
InChIInChI=1S/C14H21ClN2O2.ClH/c1-4-8-14(3,16)13(18)17-10-6-7-12(19-5-2)11(15)9-10;/h6-7,9H,4-5,8,16H2,1-3H3,(H,17,18);1H
InChIKeyQRTKFYGCPUZEGV-UHFFFAOYSA-N
MW321.25 g/mol
LogP3.62
Rot. Bonds6

About 2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride

2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride (PubChem CID 119715576) has the molecular formula C14H22Cl2N2O2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride
PubChem CID119715576
Molecular FormulaC14H22Cl2N2O2
Molecular Weight321.25 g/mol
Exact Mass320.11
IUPAC Name2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(OCC)c(Cl)c1.Cl
InChIInChI=1S/C14H21ClN2O2.ClH/c1-4-8-14(3,16)13(18)17-10-6-7-12(19-5-2)11(15)9-10;/h6-7,9H,4-5,8,16H2,1-3H3,(H,17,18);1H
InChIKeyQRTKFYGCPUZEGV-UHFFFAOYSA-N
XLogP3.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
CID 81489227
2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
CID 61266597
5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711593
2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride
CID 119781400
2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide
CID 119687733
5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
CID 119738495
2-(tert-butylamino)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 49488972
3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide
CID 81489388
N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride
CID 119707643
2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride
CID 119790140
(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696673
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide
CID 79806067

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride (CID 119715576) is 2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1ccc(OCC)c(Cl)c1.Cl.
What is the InChIKey of 2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride?
The InChIKey is QRTKFYGCPUZEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2.ClH/c1-4-8-14(3,16)13(18)17-10-6-7-12(19-5-2)11(15)9-10;/h6-7,9H,4-5,8,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride?
2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride has a molecular weight of 321.25 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119715576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).