2-(cyclohexylmethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide

C26H34FNO3 — CID 10216611

IUPAC2-(cyclohexylmethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(CC1CCCCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C26H34FNO3/c1-25(2,22-16-20(27)14-15-23(22)31-3)18-26(30,17-19-10-6-4-7-11-19)24(29)28-21-12-8-5-9-13-21/h5,8-9,12-16,19,30H,4,6-7,10-11,17-18H2,1-3H3,(H,28,29)
InChIKeyUUGDPYMSRRRUAF-UHFFFAOYSA-N
MW427.56 g/mol
LogP5.84
Rot. Bonds8

About 2-(cyclohexylmethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide

2-(cyclohexylmethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide (PubChem CID 10216611) has the molecular formula C26H34FNO3 and a molecular weight of 427.56 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide
PubChem CID10216611
Molecular FormulaC26H34FNO3
Molecular Weight427.56 g/mol
Exact Mass427.25
IUPAC Name2-(cyclohexylmethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(CC1CCCCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C26H34FNO3/c1-25(2,22-16-20(27)14-15-23(22)31-3)18-26(30,17-19-10-6-4-7-11-19)24(29)28-21-12-8-5-9-13-21/h5,8-9,12-16,19,30H,4,6-7,10-11,17-18H2,1-3H3,(H,28,29)
InChIKeyUUGDPYMSRRRUAF-UHFFFAOYSA-N
XLogP5.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.56
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylmethyl)-2-hydroxy-4-(2-methoxyphenyl)-4-methylpentanoic acid
CID 22284904
2-(cyclopentylmethyl)-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid
CID 22284930
2-benzyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide
CID 10287636
N-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
CID 11753938
2-[(3,5-dimethylphenyl)methyl]-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentanoic acid
CID 22284927
2-cyclopentyl-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide;2-cyclopentyl-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
CID 87275853
4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2-[2-(4-methoxyphenyl)ethyl]-4-methylpentanoic acid
CID 22284900
5-[[5-cyclohexyl-2-(5-fluoro-2-methoxyphenyl)-4-hydroxy-2,4-dimethylpentyl]amino]-3H-2-benzofuran-1-one
CID 69250939
2-[(3,4-difluorophenyl)methyl]-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentanoic acid
CID 22284936
methyl (3R)-5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 23584372
methyl 5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 71210621
1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]piperidine-4-carboxylic acid
CID 141092116

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide?
The IUPAC name of 2-(cyclohexylmethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide (CID 10216611) is 2-(cyclohexylmethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide.
What is the SMILES notation for 2-(cyclohexylmethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide?
The canonical SMILES for 2-(cyclohexylmethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide is COc1ccc(F)cc1C(C)(C)CC(O)(CC1CCCCC1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(cyclohexylmethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide?
The InChIKey is UUGDPYMSRRRUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FNO3/c1-25(2,22-16-20(27)14-15-23(22)31-3)18-26(30,17-19-10-6-4-7-11-19)24(29)28-21-12-8-5-9-13-21/h5,8-9,12-16,19,30H,4,6-7,10-11,17-18H2,1-3H3,(H,28,29).
What are the key properties of 2-(cyclohexylmethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide?
2-(cyclohexylmethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide has a molecular weight of 427.56 g/mol, XLogP of 5.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-N-phenylpentanamide is sourced from PubChem (CID 10216611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).