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

C30H34FNO4 — CID 134281022

IUPACN-[2-[2-(3-fluorophenyl)-4-[4-[(2-methoxyphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide
SMILESCOc1ccccc1COC1CCC(Oc2ccc(CCNC(C)=O)c(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C30H34FNO4/c1-21(33)32-17-16-22-10-11-28(19-29(22)23-7-5-8-25(31)18-23)36-27-14-12-26(13-15-27)35-20-24-6-3-4-9-30(24)34-2/h3-11,18-19,26-27H,12-17,20H2,1-2H3,(H,32,33)
InChIKeyYTIPCXQNNLGIOB-UHFFFAOYSA-N
MW491.60 g/mol
LogP6.09
Rot. Bonds10

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

N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methoxyphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide (PubChem CID 134281022) has the molecular formula C30H34FNO4 and a molecular weight of 491.60 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methoxyphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-4-[4-[(2-methoxyphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide
PubChem CID134281022
Molecular FormulaC30H34FNO4
Molecular Weight491.60 g/mol
Exact Mass491.25
IUPAC NameN-[2-[2-(3-fluorophenyl)-4-[4-[(2-methoxyphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide
SMILESCOc1ccccc1COC1CCC(Oc2ccc(CCNC(C)=O)c(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C30H34FNO4/c1-21(33)32-17-16-22-10-11-28(19-29(22)23-7-5-8-25(31)18-23)36-27-14-12-26(13-15-27)35-20-24-6-3-4-9-30(24)34-2/h3-11,18-19,26-27H,12-17,20H2,1-2H3,(H,32,33)
InChIKeyYTIPCXQNNLGIOB-UHFFFAOYSA-N
XLogP6.09
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.60
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methoxyphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methoxyphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide (CID 134281022) is N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methoxyphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methoxyphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methoxyphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide is COc1ccccc1COC1CCC(Oc2ccc(CCNC(C)=O)c(-c3cccc(F)c3)c2)CC1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methoxyphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide?
The InChIKey is YTIPCXQNNLGIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FNO4/c1-21(33)32-17-16-22-10-11-28(19-29(22)23-7-5-8-25(31)18-23)36-27-14-12-26(13-15-27)35-20-24-6-3-4-9-30(24)34-2/h3-11,18-19,26-27H,12-17,20H2,1-2H3,(H,32,33).
What are the key properties of N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methoxyphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide?
N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methoxyphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide has a molecular weight of 491.60 g/mol, XLogP of 6.09, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-4-[4-[(2-methoxyphenyl)methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 134281022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).