N-(5-fluoro-2-phenoxyphenyl)-N-[[5-methoxy-2-[2-(1-methoxycyclohexyl)oxyethoxy]phenyl]methyl]acetamide

C31H36FNO6 — CID 24785289

IUPACN-(5-fluoro-2-phenoxyphenyl)-N-[[5-methoxy-2-[2-(1-methoxycyclohexyl)oxyethoxy]phenyl]methyl]acetamide
SMILESCOc1ccc(OCCOC2(OC)CCCCC2)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
InChIInChI=1S/C31H36FNO6/c1-23(34)33(28-21-25(32)12-14-30(28)39-26-10-6-4-7-11-26)22-24-20-27(35-2)13-15-29(24)37-18-19-38-31(36-3)16-8-5-9-17-31/h4,6-7,10-15,20-21H,5,8-9,16-19,22H2,1-3H3
InChIKeyMQSFIPHZKQCUKQ-UHFFFAOYSA-N
MW537.63 g/mol
LogP6.88
Rot. Bonds12

About N-(5-fluoro-2-phenoxyphenyl)-N-[[5-methoxy-2-[2-(1-methoxycyclohexyl)oxyethoxy]phenyl]methyl]acetamide

N-(5-fluoro-2-phenoxyphenyl)-N-[[5-methoxy-2-[2-(1-methoxycyclohexyl)oxyethoxy]phenyl]methyl]acetamide (PubChem CID 24785289) has the molecular formula C31H36FNO6 and a molecular weight of 537.63 g/mol. Its IUPAC name is N-(5-fluoro-2-phenoxyphenyl)-N-[[5-methoxy-2-[2-(1-methoxycyclohexyl)oxyethoxy]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-phenoxyphenyl)-N-[[5-methoxy-2-[2-(1-methoxycyclohexyl)oxyethoxy]phenyl]methyl]acetamide
PubChem CID24785289
Molecular FormulaC31H36FNO6
Molecular Weight537.63 g/mol
Exact Mass537.25
IUPAC NameN-(5-fluoro-2-phenoxyphenyl)-N-[[5-methoxy-2-[2-(1-methoxycyclohexyl)oxyethoxy]phenyl]methyl]acetamide
SMILESCOc1ccc(OCCOC2(OC)CCCCC2)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
InChIInChI=1S/C31H36FNO6/c1-23(34)33(28-21-25(32)12-14-30(28)39-26-10-6-4-7-11-26)22-24-20-27(35-2)13-15-29(24)37-18-19-38-31(36-3)16-8-5-9-17-31/h4,6-7,10-15,20-21H,5,8-9,16-19,22H2,1-3H3
InChIKeyMQSFIPHZKQCUKQ-UHFFFAOYSA-N
XLogP6.88
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.63
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-phenoxyphenyl)-N-[[5-methoxy-2-[2-(1-methoxycyclohexyl)oxyethoxy]phenyl]methyl]acetamide?
The IUPAC name of N-(5-fluoro-2-phenoxyphenyl)-N-[[5-methoxy-2-[2-(1-methoxycyclohexyl)oxyethoxy]phenyl]methyl]acetamide (CID 24785289) is N-(5-fluoro-2-phenoxyphenyl)-N-[[5-methoxy-2-[2-(1-methoxycyclohexyl)oxyethoxy]phenyl]methyl]acetamide.
What is the SMILES notation for N-(5-fluoro-2-phenoxyphenyl)-N-[[5-methoxy-2-[2-(1-methoxycyclohexyl)oxyethoxy]phenyl]methyl]acetamide?
The canonical SMILES for N-(5-fluoro-2-phenoxyphenyl)-N-[[5-methoxy-2-[2-(1-methoxycyclohexyl)oxyethoxy]phenyl]methyl]acetamide is COc1ccc(OCCOC2(OC)CCCCC2)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1.
What is the InChIKey of N-(5-fluoro-2-phenoxyphenyl)-N-[[5-methoxy-2-[2-(1-methoxycyclohexyl)oxyethoxy]phenyl]methyl]acetamide?
The InChIKey is MQSFIPHZKQCUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FNO6/c1-23(34)33(28-21-25(32)12-14-30(28)39-26-10-6-4-7-11-26)22-24-20-27(35-2)13-15-29(24)37-18-19-38-31(36-3)16-8-5-9-17-31/h4,6-7,10-15,20-21H,5,8-9,16-19,22H2,1-3H3.
What are the key properties of N-(5-fluoro-2-phenoxyphenyl)-N-[[5-methoxy-2-[2-(1-methoxycyclohexyl)oxyethoxy]phenyl]methyl]acetamide?
N-(5-fluoro-2-phenoxyphenyl)-N-[[5-methoxy-2-[2-(1-methoxycyclohexyl)oxyethoxy]phenyl]methyl]acetamide has a molecular weight of 537.63 g/mol, XLogP of 6.88, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-phenoxyphenyl)-N-[[5-methoxy-2-[2-(1-methoxycyclohexyl)oxyethoxy]phenyl]methyl]acetamide is sourced from PubChem (CID 24785289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).