(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(3-morpholin-4-ylpropanoyl)-9-phenylnonanamide

C23H35FN2O4 — CID 21345603

IUPAC(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(3-morpholin-4-ylpropanoyl)-9-phenylnonanamide
SMILESCC(F)(CC[C@H](C[C@@H](O)CCc1ccccc1)C(=O)CCN1CCOCC1)C(N)=O
InChIInChI=1S/C23H35FN2O4/c1-23(24,22(25)29)11-9-19(21(28)10-12-26-13-15-30-16-14-26)17-20(27)8-7-18-5-3-2-4-6-18/h2-6,19-20,27H,7-17H2,1H3,(H2,25,29)/t19-,20+,23?/m1/s1
InChIKeyXVOJNMZFLZAABX-ZCQKWSGTSA-N
MW422.54 g/mol
LogP2.27
Rot. Bonds13

About (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(3-morpholin-4-ylpropanoyl)-9-phenylnonanamide

(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(3-morpholin-4-ylpropanoyl)-9-phenylnonanamide (PubChem CID 21345603) has the molecular formula C23H35FN2O4 and a molecular weight of 422.54 g/mol. Its IUPAC name is (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(3-morpholin-4-ylpropanoyl)-9-phenylnonanamide.

Molecular Properties

Compound Name(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(3-morpholin-4-ylpropanoyl)-9-phenylnonanamide
PubChem CID21345603
Molecular FormulaC23H35FN2O4
Molecular Weight422.54 g/mol
Exact Mass422.26
IUPAC Name(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(3-morpholin-4-ylpropanoyl)-9-phenylnonanamide
SMILESCC(F)(CC[C@H](C[C@@H](O)CCc1ccccc1)C(=O)CCN1CCOCC1)C(N)=O
InChIInChI=1S/C23H35FN2O4/c1-23(24,22(25)29)11-9-19(21(28)10-12-26-13-15-30-16-14-26)17-20(27)8-7-18-5-3-2-4-6-18/h2-6,19-20,27H,7-17H2,1H3,(H2,25,29)/t19-,20+,23?/m1/s1
InChIKeyXVOJNMZFLZAABX-ZCQKWSGTSA-N
XLogP2.27
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Morpholinepropanamide, alpha-(2-hydroxy-1-phenylethyl)-
CID 3062956
(5R)-2-fluoro-5-[(2S)-2-hydroxy-4-phenylbutyl]-N'-(2-methoxyethyl)-2-methylhexanediamide
CID 21345592
2-(1-Fluoro-2-morpholin-4-yl-2-oxoethyl)-5-phenylpentanoic acid
CID 22053988
(S)-2-(1-Fluoro-2-morpholin-4-yl-2-oxo-ethyl)-5-phenyl-pentanoic acid
CID 58619495
5-Butyl-2-[3-(3,5-difluorophenyl)-1-hydroxypropyl]piperidin-4-one
CID 59757752
(2R,4S,5S)-5-amino-2-(3-fluoro-3-methylbutyl)-4-hydroxy-6-phenyl-1-piperidin-1-ylhexan-1-one
CID 68898094
(2R,4S,5S)-5-amino-2-(3-fluoro-3-methylbutyl)-4-hydroxy-1-morpholin-4-yl-6-phenylhexan-1-one
CID 68898134
(2R)-2-[(1S)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid
CID 69435262
2-[(1S)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid
CID 69435266
2-[[6-(2-ethoxy-3-morpholin-4-yl-3-oxopropyl)-6-fluoro-3-phenylcyclohexa-2,4-dien-1-yl]methyl]-N-methyloctanamide
CID 69721896
(3S)-4-(4-fluorophenyl)-2-hydroxy-3-methyl-1-piperidin-1-ylbutan-1-one
CID 69730752
(4R,6S,7S)-7-amino-4-(3-fluoro-3-methylbutyl)-6-hydroxy-1-morpholin-4-yl-8-phenyloctan-3-one
CID 70138605

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(3-morpholin-4-ylpropanoyl)-9-phenylnonanamide?
The IUPAC name of (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(3-morpholin-4-ylpropanoyl)-9-phenylnonanamide (CID 21345603) is (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(3-morpholin-4-ylpropanoyl)-9-phenylnonanamide.
What is the SMILES notation for (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(3-morpholin-4-ylpropanoyl)-9-phenylnonanamide?
The canonical SMILES for (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(3-morpholin-4-ylpropanoyl)-9-phenylnonanamide is CC(F)(CC[C@H](C[C@@H](O)CCc1ccccc1)C(=O)CCN1CCOCC1)C(N)=O.
What is the InChIKey of (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(3-morpholin-4-ylpropanoyl)-9-phenylnonanamide?
The InChIKey is XVOJNMZFLZAABX-ZCQKWSGTSA-N. The full InChI is InChI=1S/C23H35FN2O4/c1-23(24,22(25)29)11-9-19(21(28)10-12-26-13-15-30-16-14-26)17-20(27)8-7-18-5-3-2-4-6-18/h2-6,19-20,27H,7-17H2,1H3,(H2,25,29)/t19-,20+,23?/m1/s1.
What are the key properties of (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(3-morpholin-4-ylpropanoyl)-9-phenylnonanamide?
(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(3-morpholin-4-ylpropanoyl)-9-phenylnonanamide has a molecular weight of 422.54 g/mol, XLogP of 2.27, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(3-morpholin-4-ylpropanoyl)-9-phenylnonanamide is sourced from PubChem (CID 21345603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).