2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride

C15H24Cl2N2O — CID 119760310

IUPAC2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(C)CCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H23ClN2O.ClH/c1-4-10-15(2,17)14(19)18(3)11-9-12-5-7-13(16)8-6-12;/h5-8H,4,9-11,17H2,1-3H3;1H
InChIKeyYSSCIWLSAFWRSW-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.28
Rot. Bonds6

About 2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride

2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride (PubChem CID 119760310) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is 2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride
PubChem CID119760310
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC Name2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(C)CCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H23ClN2O.ClH/c1-4-10-15(2,17)14(19)18(3)11-9-12-5-7-13(16)8-6-12;/h5-8H,4,9-11,17H2,1-3H3;1H
InChIKeyYSSCIWLSAFWRSW-UHFFFAOYSA-N
XLogP3.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 115165826
2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119681313
2-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide;hydrochloride
CID 119681995
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 54872621
2-amino-N-benzyl-N,2-dimethylpentanamide
CID 60848746
2-amino-N,2-dimethyl-N-pentylpentanamide
CID 60848756
2-amino-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pentanamide
CID 54868960
2-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide;hydrochloride
CID 119695424
2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119682478
N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-oxoacetamide
CID 115166656
2-amino-N,2-dimethyl-N-(naphthalen-2-ylmethyl)pentanamide
CID 60936685
2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride
CID 119695698

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride (CID 119760310) is 2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride is CCCC(C)(N)C(=O)N(C)CCc1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride?
The InChIKey is YSSCIWLSAFWRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O.ClH/c1-4-10-15(2,17)14(19)18(3)11-9-12-5-7-13(16)8-6-12;/h5-8H,4,9-11,17H2,1-3H3;1H.
What are the key properties of 2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride?
2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride has a molecular weight of 319.28 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride is sourced from PubChem (CID 119760310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).