4-(3-fluorophenyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]oxane-4-carboxamide

C20H28FNO3 — CID 71977575

IUPAC4-(3-fluorophenyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]oxane-4-carboxamide
SMILESCC(C)C1OCCC1CNC(=O)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C20H28FNO3/c1-14(2)18-15(6-9-25-18)13-22-19(23)20(7-10-24-11-8-20)16-4-3-5-17(21)12-16/h3-5,12,14-15,18H,6-11,13H2,1-2H3,(H,22,23)
InChIKeyQPXOVTBJDDUWDU-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.05
Rot. Bonds5

About 4-(3-fluorophenyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]oxane-4-carboxamide

4-(3-fluorophenyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]oxane-4-carboxamide (PubChem CID 71977575) has the molecular formula C20H28FNO3 and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]oxane-4-carboxamide
PubChem CID71977575
Molecular FormulaC20H28FNO3
Molecular Weight349.45 g/mol
Exact Mass349.21
IUPAC Name4-(3-fluorophenyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]oxane-4-carboxamide
SMILESCC(C)C1OCCC1CNC(=O)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C20H28FNO3/c1-14(2)18-15(6-9-25-18)13-22-19(23)20(7-10-24-11-8-20)16-4-3-5-17(21)12-16/h3-5,12,14-15,18H,6-11,13H2,1-2H3,(H,22,23)
InChIKeyQPXOVTBJDDUWDU-UHFFFAOYSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-(3-isopropoxypropyl)acetamide
CID 2228387
4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide
CID 2900568
N-benzyl-3-(oxolan-2-yl)butanamide
CID 2837669
4-Phenyl-tetrahydro-pyran-4-carboxylic acid isopropylamide
CID 972737
N-{[4-(4-fluorophenyl)oxan-4-yl]methyl}cyclopentanecarboxamide
CID 27450040
1-(4-fluorophenyl)-N-(3-isopropoxypropyl)cyclopropanecarboxamide
CID 45504920
N-[2-[di(propan-2-yl)amino]ethyl]-4-(2-methylphenyl)oxane-4-carboxamide
CID 48138945
2-methyl-N-(oxolan-2-ylmethyl)-2-phenylpropanamide
CID 51075738
4-(2-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide
CID 53501752
4-(2-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide
CID 53501795
N-[2-(dimethylamino)ethyl]-4-(2-methylphenyl)oxane-4-carboxamide
CID 53505375
4-(2-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
CID 53505600

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]oxane-4-carboxamide (CID 71977575) is 4-(3-fluorophenyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]oxane-4-carboxamide is CC(C)C1OCCC1CNC(=O)C1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]oxane-4-carboxamide?
The InChIKey is QPXOVTBJDDUWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNO3/c1-14(2)18-15(6-9-25-18)13-22-19(23)20(7-10-24-11-8-20)16-4-3-5-17(21)12-16/h3-5,12,14-15,18H,6-11,13H2,1-2H3,(H,22,23).
What are the key properties of 4-(3-fluorophenyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]oxane-4-carboxamide?
4-(3-fluorophenyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]oxane-4-carboxamide has a molecular weight of 349.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 71977575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).