N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride

C16H25ClF2N2O2 — CID 119658985

IUPACN-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)Cc1ccc(OC(F)F)cc1.Cl
InChIInChI=1S/C16H24F2N2O2.ClH/c1-11(2)14(19)8-9-20(3)15(21)10-12-4-6-13(7-5-12)22-16(17)18;/h4-7,11,14,16H,8-10,19H2,1-3H3;1H
InChIKeyQPTMLJBMTDNALL-UHFFFAOYSA-N
MW350.84 g/mol
LogP3.08
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride

N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride (PubChem CID 119658985) has the molecular formula C16H25ClF2N2O2 and a molecular weight of 350.84 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride
PubChem CID119658985
Molecular FormulaC16H25ClF2N2O2
Molecular Weight350.84 g/mol
Exact Mass350.16
IUPAC NameN-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)Cc1ccc(OC(F)F)cc1.Cl
InChIInChI=1S/C16H24F2N2O2.ClH/c1-11(2)14(19)8-9-20(3)15(21)10-12-4-6-13(7-5-12)22-16(17)18;/h4-7,11,14,16H,8-10,19H2,1-3H3;1H
InChIKeyQPTMLJBMTDNALL-UHFFFAOYSA-N
XLogP3.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.84
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119660115
N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 81484430
N-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide
CID 119659145
N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride
CID 119659943
N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
CID 119660207
N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 119657407
N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride
CID 119657243
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837
N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119660409
N-(3-amino-4-methylpentyl)-N-methyl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119659796
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572897
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119657837

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride (CID 119658985) is N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)Cc1ccc(OC(F)F)cc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride?
The InChIKey is QPTMLJBMTDNALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2.ClH/c1-11(2)14(19)8-9-20(3)15(21)10-12-4-6-13(7-5-12)22-16(17)18;/h4-7,11,14,16H,8-10,19H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride?
N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride has a molecular weight of 350.84 g/mol, XLogP of 3.08, 8 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-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119658985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).