N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide

C18H24F2N2O3 — CID 34696990

IUPACN-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCC[C@@H](NC(=O)CN1CCCCCC1=O)c1ccccc1OC(F)F
InChIInChI=1S/C18H24F2N2O3/c1-2-14(13-8-5-6-9-15(13)25-18(19)20)21-16(23)12-22-11-7-3-4-10-17(22)24/h5-6,8-9,14,18H,2-4,7,10-12H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyAXGMHQFICULWHC-CQSZACIVSA-N
MW354.40 g/mol
LogP3.26
Rot. Bonds7

About N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide

N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 34696990) has the molecular formula C18H24F2N2O3 and a molecular weight of 354.40 g/mol. Its IUPAC name is N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID34696990
Molecular FormulaC18H24F2N2O3
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC NameN-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCC[C@@H](NC(=O)CN1CCCCCC1=O)c1ccccc1OC(F)F
InChIInChI=1S/C18H24F2N2O3/c1-2-14(13-8-5-6-9-15(13)25-18(19)20)21-16(23)12-22-11-7-3-4-10-17(22)24/h5-6,8-9,14,18H,2-4,7,10-12H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyAXGMHQFICULWHC-CQSZACIVSA-N
XLogP3.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112844401
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 55656206
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 94107373
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55656292
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31321499
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560678
N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide
CID 55763443
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-phenoxyacetamide
CID 34703779
N-[1-[2-(difluoromethoxy)phenyl]propyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 55656137
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide
CID 119037362
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55656108
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide
CID 119721294

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide (CID 34696990) is N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide is CC[C@@H](NC(=O)CN1CCCCCC1=O)c1ccccc1OC(F)F.
What is the InChIKey of N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is AXGMHQFICULWHC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24F2N2O3/c1-2-14(13-8-5-6-9-15(13)25-18(19)20)21-16(23)12-22-11-7-3-4-10-17(22)24/h5-6,8-9,14,18H,2-4,7,10-12H2,1H3,(H,21,23)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 354.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 34696990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).