N-[2-[2-(3-ethylphenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide

C31H37NO3 — CID 144986038

IUPACN-[2-[2-(3-ethylphenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide
SMILESCCc1cccc(-c2cc(OC3CCCC(OCc4ccccc4)C3)ccc2CCNC(C)=O)c1
InChIInChI=1S/C31H37NO3/c1-3-24-11-7-12-27(19-24)31-21-30(16-15-26(31)17-18-32-23(2)33)35-29-14-8-13-28(20-29)34-22-25-9-5-4-6-10-25/h4-7,9-12,15-16,19,21,28-29H,3,8,13-14,17-18,20,22H2,1-2H3,(H,32,33)
InChIKeyOFIGFAPBVOIDJQ-UHFFFAOYSA-N
MW471.64 g/mol
LogP6.50
Rot. Bonds10

About N-[2-[2-(3-ethylphenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide

N-[2-[2-(3-ethylphenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide (PubChem CID 144986038) has the molecular formula C31H37NO3 and a molecular weight of 471.64 g/mol. Its IUPAC name is N-[2-[2-(3-ethylphenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-ethylphenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide
PubChem CID144986038
Molecular FormulaC31H37NO3
Molecular Weight471.64 g/mol
Exact Mass471.28
IUPAC NameN-[2-[2-(3-ethylphenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide
SMILESCCc1cccc(-c2cc(OC3CCCC(OCc4ccccc4)C3)ccc2CCNC(C)=O)c1
InChIInChI=1S/C31H37NO3/c1-3-24-11-7-12-27(19-24)31-21-30(16-15-26(31)17-18-32-23(2)33)35-29-14-8-13-28(20-29)34-22-25-9-5-4-6-10-25/h4-7,9-12,15-16,19,21,28-29H,3,8,13-14,17-18,20,22H2,1-2H3,(H,32,33)
InChIKeyOFIGFAPBVOIDJQ-UHFFFAOYSA-N
XLogP6.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.64
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(3-ethylphenyl)-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]oxyphenyl]ethyl]acetamide
CID 144986039
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
N-[2-[4-[(3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-phenylphenyl]ethyl]acetamide
CID 71696412
2-(3-fluorophenyl)-4-[4-[(4-fluorophenyl)methoxy]cyclohexyl]oxy-1-propylbenzene
CID 159272592
[(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-(3,4-dihydroxyoxolan-2-yl)oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 134297173
[4-(2-acetamidoethyl)-3-(3-fluorophenyl)phenyl] acetate
CID 159122206
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-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(3-ethylphenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide (CID 144986038) is N-[2-[2-(3-ethylphenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(3-ethylphenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(3-ethylphenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide is CCc1cccc(-c2cc(OC3CCCC(OCc4ccccc4)C3)ccc2CCNC(C)=O)c1.
What is the InChIKey of N-[2-[2-(3-ethylphenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide?
The InChIKey is OFIGFAPBVOIDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37NO3/c1-3-24-11-7-12-27(19-24)31-21-30(16-15-26(31)17-18-32-23(2)33)35-29-14-8-13-28(20-29)34-22-25-9-5-4-6-10-25/h4-7,9-12,15-16,19,21,28-29H,3,8,13-14,17-18,20,22H2,1-2H3,(H,32,33).
What are the key properties of N-[2-[2-(3-ethylphenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide?
N-[2-[2-(3-ethylphenyl)-4-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide has a molecular weight of 471.64 g/mol, XLogP of 6.50, 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-(3-phenylmethoxycyclohexyl)oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 144986038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).