N-[2-[2-(3-ethylphenyl)-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide

C32H36F3NO3 — CID 144986039

IUPACN-[2-[2-(3-ethylphenyl)-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide
SMILESCCc1cccc(-c2cc(OC3CCC(OCc4ccc(C(F)(F)F)cc4)CC3)ccc2CCNC(C)=O)c1
InChIInChI=1S/C32H36F3NO3/c1-3-23-5-4-6-26(19-23)31-20-30(12-9-25(31)17-18-36-22(2)37)39-29-15-13-28(14-16-29)38-21-24-7-10-27(11-8-24)32(33,34)35/h4-12,19-20,28-29H,3,13-18,21H2,1-2H3,(H,36,37)
InChIKeyIMGQIWPCQNTQMS-UHFFFAOYSA-N
MW539.64 g/mol
LogP7.52
Rot. Bonds10

About N-[2-[2-(3-ethylphenyl)-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide

N-[2-[2-(3-ethylphenyl)-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide (PubChem CID 144986039) has the molecular formula C32H36F3NO3 and a molecular weight of 539.64 g/mol. Its IUPAC name is N-[2-[2-(3-ethylphenyl)-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-ethylphenyl)-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide
PubChem CID144986039
Molecular FormulaC32H36F3NO3
Molecular Weight539.64 g/mol
Exact Mass539.26
IUPAC NameN-[2-[2-(3-ethylphenyl)-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide
SMILESCCc1cccc(-c2cc(OC3CCC(OCc4ccc(C(F)(F)F)cc4)CC3)ccc2CCNC(C)=O)c1
InChIInChI=1S/C32H36F3NO3/c1-3-23-5-4-6-26(19-23)31-20-30(12-9-25(31)17-18-36-22(2)37)39-29-15-13-28(14-16-29)38-21-24-7-10-27(11-8-24)32(33,34)35/h4-12,19-20,28-29H,3,13-18,21H2,1-2H3,(H,36,37)
InChIKeyIMGQIWPCQNTQMS-UHFFFAOYSA-N
XLogP7.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(3-ethylphenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide
CID 144986038
N-[2-[4-[4-[(4-bromophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 134281004
N-[2-[4-[4-[(2-bromophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 134280937
N-[2-[2-(3-fluorophenyl)-4-(4-piperidin-4-ylcyclohexyl)oxyphenyl]ethyl]acetamide
CID 71695640
N-[2-[4-[4-[(2-bromo-4-chlorophenyl)methoxy]cyclohexyl]oxy-2-(3-prop-1-en-2-ylphenyl)phenyl]ethyl]acetamide
CID 144986022
2-(3-fluorophenyl)-4-[4-[(4-fluorophenyl)methoxy]cyclohexyl]oxy-1-propylbenzene
CID 159272592
[4-(2-acetamidoethyl)-3-(3-fluorophenyl)phenyl] acetate
CID 159122206
N-[2-(7-cyclopropyloxy-3-hydroxynaphthalen-1-yl)ethyl]acetamide
CID 162686348
ethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate
CID 122476650
[(3R,4R,5R,6R)-6-[4-(2-acetamidoethyl)-3-(3-fluorophenyl)phenoxy]-3,5-dibenzoyloxy-2,2-dimethyloxan-4-yl] benzoate
CID 147575134
N-[2-[4-[(3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 71696417
N-[2-[4-[[(7R,8R,9S,10R)-8,9-dihydroxy-10-methoxy-6-oxaspiro[4.5]dec-2-en-7-yl]oxy]-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 153365103

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-ethylphenyl)-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(3-ethylphenyl)-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide (CID 144986039) is N-[2-[2-(3-ethylphenyl)-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(3-ethylphenyl)-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(3-ethylphenyl)-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide is CCc1cccc(-c2cc(OC3CCC(OCc4ccc(C(F)(F)F)cc4)CC3)ccc2CCNC(C)=O)c1.
What is the InChIKey of N-[2-[2-(3-ethylphenyl)-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide?
The InChIKey is IMGQIWPCQNTQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F3NO3/c1-3-23-5-4-6-26(19-23)31-20-30(12-9-25(31)17-18-36-22(2)37)39-29-15-13-28(14-16-29)38-21-24-7-10-27(11-8-24)32(33,34)35/h4-12,19-20,28-29H,3,13-18,21H2,1-2H3,(H,36,37).
What are the key properties of N-[2-[2-(3-ethylphenyl)-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide?
N-[2-[2-(3-ethylphenyl)-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide has a molecular weight of 539.64 g/mol, XLogP of 7.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-ethylphenyl)-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 144986039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).