N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methylphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide

C30H34FNO3 — CID 134280954

IUPACN-[2-[2-(3-fluorophenyl)-4-[4-[(2-methylphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(OC2CCC(OCc3ccccc3C)CC2)cc1-c1cccc(F)c1
InChIInChI=1S/C30H34FNO3/c1-21-6-3-4-7-25(21)20-34-27-12-14-28(15-13-27)35-29-11-10-23(16-17-32-22(2)33)30(19-29)24-8-5-9-26(31)18-24/h3-11,18-19,27-28H,12-17,20H2,1-2H3,(H,32,33)
InChIKeyXMXALWWOBGSVAA-UHFFFAOYSA-N
MW475.60 g/mol
LogP6.39
Rot. Bonds9

About N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methylphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide

N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methylphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide (PubChem CID 134280954) has the molecular formula C30H34FNO3 and a molecular weight of 475.60 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methylphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-4-[4-[(2-methylphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide
PubChem CID134280954
Molecular FormulaC30H34FNO3
Molecular Weight475.60 g/mol
Exact Mass475.25
IUPAC NameN-[2-[2-(3-fluorophenyl)-4-[4-[(2-methylphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(OC2CCC(OCc3ccccc3C)CC2)cc1-c1cccc(F)c1
InChIInChI=1S/C30H34FNO3/c1-21-6-3-4-7-25(21)20-34-27-12-14-28(15-13-27)35-29-11-10-23(16-17-32-22(2)33)30(19-29)24-8-5-9-26(31)18-24/h3-11,18-19,27-28H,12-17,20H2,1-2H3,(H,32,33)
InChIKeyXMXALWWOBGSVAA-UHFFFAOYSA-N
XLogP6.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methylphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methylphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide (CID 134280954) is N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methylphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methylphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methylphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide is CC(=O)NCCc1ccc(OC2CCC(OCc3ccccc3C)CC2)cc1-c1cccc(F)c1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methylphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide?
The InChIKey is XMXALWWOBGSVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FNO3/c1-21-6-3-4-7-25(21)20-34-27-12-14-28(15-13-27)35-29-11-10-23(16-17-32-22(2)33)30(19-29)24-8-5-9-26(31)18-24/h3-11,18-19,27-28H,12-17,20H2,1-2H3,(H,32,33).
What are the key properties of N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methylphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide?
N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methylphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide has a molecular weight of 475.60 g/mol, XLogP of 6.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methylphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 134280954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).