4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide

C20H23FN2O2 — CID 134712334

IUPAC4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
SMILESO=C(CCCc1ccc(F)cc1)N[C@@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C20H23FN2O2/c21-18-6-4-15(5-7-18)2-1-3-20(24)23-19-14-25-13-17(19)12-16-8-10-22-11-9-16/h4-11,17,19H,1-3,12-14H2,(H,23,24)/t17-,19-/m1/s1
InChIKeyAQUUOZNFLKWDRD-IEBWSBKVSA-N
MW342.41 g/mol
LogP2.92
Rot. Bonds7

About 4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide

4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide (PubChem CID 134712334) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
PubChem CID134712334
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
SMILESO=C(CCCc1ccc(F)cc1)N[C@@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C20H23FN2O2/c21-18-6-4-15(5-7-18)2-1-3-20(24)23-19-14-25-13-17(19)12-16-8-10-22-11-9-16/h4-11,17,19H,1-3,12-14H2,(H,23,24)/t17-,19-/m1/s1
InChIKeyAQUUOZNFLKWDRD-IEBWSBKVSA-N
XLogP2.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
CID 134712464
4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918726
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
2-(5-fluoro-2-methylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134707664
3-methylsulfonyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135100569
3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134712034
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135117287
4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide
CID 91763561
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
2-(4-propan-2-ylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134709594
2-cyclopentyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135101855
2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134711883

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide (CID 134712334) is 4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide is O=C(CCCc1ccc(F)cc1)N[C@@H]1COC[C@H]1Cc1ccncc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide?
The InChIKey is AQUUOZNFLKWDRD-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-18-6-4-15(5-7-18)2-1-3-20(24)23-19-14-25-13-17(19)12-16-8-10-22-11-9-16/h4-11,17,19H,1-3,12-14H2,(H,23,24)/t17-,19-/m1/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide?
4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide has a molecular weight of 342.41 g/mol, XLogP of 2.92, 7 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)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide is sourced from PubChem (CID 134712334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).