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

C16H24F2N2O2 — CID 119659145

IUPACN-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)Cc1ccccc1OC(F)F
InChIInChI=1S/C16H24F2N2O2/c1-11(2)13(19)8-9-20(3)15(21)10-12-6-4-5-7-14(12)22-16(17)18/h4-7,11,13,16H,8-10,19H2,1-3H3
InChIKeyWTTTUBVIMTXLBD-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.66
Rot. Bonds8

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

N-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide (PubChem CID 119659145) has the molecular formula C16H24F2N2O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide
PubChem CID119659145
Molecular FormulaC16H24F2N2O2
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC NameN-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)Cc1ccccc1OC(F)F
InChIInChI=1S/C16H24F2N2O2/c1-11(2)13(19)8-9-20(3)15(21)10-12-6-4-5-7-14(12)22-16(17)18/h4-7,11,13,16H,8-10,19H2,1-3H3
InChIKeyWTTTUBVIMTXLBD-UHFFFAOYSA-N
XLogP2.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride
CID 119658985
N-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119660284
N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119660115
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119658198
N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 111695957
N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride
CID 119658162
N-(3-amino-4-methylpentyl)-N-methyl-2-phenoxyacetamide
CID 81485024
N-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide
CID 119661444
N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 119657407
N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 81484430
3-[[2-[2-(difluoromethoxy)phenyl]acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190739
N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride
CID 119658945

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide (CID 119659145) is N-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide is CC(C)C(N)CCN(C)C(=O)Cc1ccccc1OC(F)F.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide?
The InChIKey is WTTTUBVIMTXLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2/c1-11(2)13(19)8-9-20(3)15(21)10-12-6-4-5-7-14(12)22-16(17)18/h4-7,11,13,16H,8-10,19H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide?
N-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide has a molecular weight of 314.38 g/mol, XLogP of 2.66, 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-[2-(difluoromethoxy)phenyl]-N-methylacetamide is sourced from PubChem (CID 119659145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).