N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-[[(3R)-oxolan-3-yl]methoxy]acetamide

C17H22FNO3 — CID 95349735

IUPACN-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-[[(3R)-oxolan-3-yl]methoxy]acetamide
SMILESO=C(COC[C@@H]1CCOC1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H22FNO3/c18-15-3-1-13(2-4-15)9-19(16-5-6-16)17(20)12-22-11-14-7-8-21-10-14/h1-4,14,16H,5-12H2/t14-/m1/s1
InChIKeyZOKRPNYKMIKPHY-CQSZACIVSA-N
MW307.36 g/mol
LogP2.37
Rot. Bonds7

About N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-[[(3R)-oxolan-3-yl]methoxy]acetamide

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-[[(3R)-oxolan-3-yl]methoxy]acetamide (PubChem CID 95349735) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-[[(3R)-oxolan-3-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-[[(3R)-oxolan-3-yl]methoxy]acetamide
PubChem CID95349735
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-[[(3R)-oxolan-3-yl]methoxy]acetamide
SMILESO=C(COC[C@@H]1CCOC1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H22FNO3/c18-15-3-1-13(2-4-15)9-19(16-5-6-16)17(20)12-22-11-14-7-8-21-10-14/h1-4,14,16H,5-12H2/t14-/m1/s1
InChIKeyZOKRPNYKMIKPHY-CQSZACIVSA-N
XLogP2.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-[[(3R)-oxolan-3-yl]methoxy]acetamide?
The IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-[[(3R)-oxolan-3-yl]methoxy]acetamide (CID 95349735) is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-[[(3R)-oxolan-3-yl]methoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-[[(3R)-oxolan-3-yl]methoxy]acetamide?
The canonical SMILES for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-[[(3R)-oxolan-3-yl]methoxy]acetamide is O=C(COC[C@@H]1CCOC1)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-[[(3R)-oxolan-3-yl]methoxy]acetamide?
The InChIKey is ZOKRPNYKMIKPHY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22FNO3/c18-15-3-1-13(2-4-15)9-19(16-5-6-16)17(20)12-22-11-14-7-8-21-10-14/h1-4,14,16H,5-12H2/t14-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-[[(3R)-oxolan-3-yl]methoxy]acetamide?
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-[[(3R)-oxolan-3-yl]methoxy]acetamide has a molecular weight of 307.36 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-[[(3R)-oxolan-3-yl]methoxy]acetamide is sourced from PubChem (CID 95349735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).