4-(4-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]butanamide

C20H28FNO3 — CID 91789294

IUPAC4-(4-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]butanamide
SMILESO=C(CCCc1ccc(F)cc1)N[C@H]1CCOC[C@H]1C1CCOCC1
InChIInChI=1S/C20H28FNO3/c21-17-6-4-15(5-7-17)2-1-3-20(23)22-19-10-13-25-14-18(19)16-8-11-24-12-9-16/h4-7,16,18-19H,1-3,8-14H2,(H,22,23)/t18-,19-/m0/s1
InChIKeyYFRQAVCZPMNCGU-OALUTQOASA-N
MW349.45 g/mol
LogP3.10
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]butanamide

4-(4-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]butanamide (PubChem CID 91789294) has the molecular formula C20H28FNO3 and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]butanamide
PubChem CID91789294
Molecular FormulaC20H28FNO3
Molecular Weight349.45 g/mol
Exact Mass349.21
IUPAC Name4-(4-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]butanamide
SMILESO=C(CCCc1ccc(F)cc1)N[C@H]1CCOC[C@H]1C1CCOCC1
InChIInChI=1S/C20H28FNO3/c21-17-6-4-15(5-7-17)2-1-3-20(23)22-19-10-13-25-14-18(19)16-8-11-24-12-9-16/h4-7,16,18-19H,1-3,8-14H2,(H,22,23)/t18-,19-/m0/s1
InChIKeyYFRQAVCZPMNCGU-OALUTQOASA-N
XLogP3.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]butanamide with MolForge

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Related Compounds

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4-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)oxane-4-carboxamide
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N-{[4-(4-fluorophenyl)oxan-4-yl]methyl}cyclohexanecarboxamide
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2-fluoro-3-methyl-N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]benzamide
CID 91770918
3-(3,4-dimethylphenyl)-N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]butanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]butanamide (CID 91789294) is 4-(4-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]butanamide is O=C(CCCc1ccc(F)cc1)N[C@H]1CCOC[C@H]1C1CCOCC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]butanamide?
The InChIKey is YFRQAVCZPMNCGU-OALUTQOASA-N. The full InChI is InChI=1S/C20H28FNO3/c21-17-6-4-15(5-7-17)2-1-3-20(23)22-19-10-13-25-14-18(19)16-8-11-24-12-9-16/h4-7,16,18-19H,1-3,8-14H2,(H,22,23)/t18-,19-/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]butanamide?
4-(4-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]butanamide has a molecular weight of 349.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]butanamide is sourced from PubChem (CID 91789294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).