N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride

C15H24ClFN2O2 — CID 119657243

IUPACN-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)COc1ccc(F)cc1.Cl
InChIInChI=1S/C15H23FN2O2.ClH/c1-11(2)14(17)8-9-18(3)15(19)10-20-13-6-4-12(16)5-7-13;/h4-7,11,14H,8-10,17H2,1-3H3;1H
InChIKeyGCZPRYGPMKDFHK-UHFFFAOYSA-N
MW318.82 g/mol
LogP2.46
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride

N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride (PubChem CID 119657243) has the molecular formula C15H24ClFN2O2 and a molecular weight of 318.82 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride
PubChem CID119657243
Molecular FormulaC15H24ClFN2O2
Molecular Weight318.82 g/mol
Exact Mass318.15
IUPAC NameN-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)COc1ccc(F)cc1.Cl
InChIInChI=1S/C15H23FN2O2.ClH/c1-11(2)14(17)8-9-18(3)15(19)10-20-13-6-4-12(16)5-7-13;/h4-7,11,14H,8-10,17H2,1-3H3;1H
InChIKeyGCZPRYGPMKDFHK-UHFFFAOYSA-N
XLogP2.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.82
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide
CID 119657814
N-(3-amino-4-methylpentyl)-N-methyl-2-phenoxyacetamide
CID 81485024
N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide
CID 119658373
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119658198
N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide
CID 119659917
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-N-methyl-2-propan-2-yloxyacetamide;hydrochloride
CID 119660231
N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride
CID 119658985
N-(3-amino-4-methylpentyl)-N-methyl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119659796
N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119661117
N-(3-amino-4-methylpentyl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119657391
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride (CID 119657243) is N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)COc1ccc(F)cc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride?
The InChIKey is GCZPRYGPMKDFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2.ClH/c1-11(2)14(17)8-9-18(3)15(19)10-20-13-6-4-12(16)5-7-13;/h4-7,11,14H,8-10,17H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride?
N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride has a molecular weight of 318.82 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119657243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).