[5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)phenyl] N-cyclopentylcarbamate

C28H31NO4 — CID 67504979

IUPAC[5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)phenyl] N-cyclopentylcarbamate
SMILESCOc1ccc(-c2ccc(OCCc3ccccc3)c(OC(=O)NC3CCCC3)c2)c(C)c1
InChIInChI=1S/C28H31NO4/c1-20-18-24(31-2)13-14-25(20)22-12-15-26(32-17-16-21-8-4-3-5-9-21)27(19-22)33-28(30)29-23-10-6-7-11-23/h3-5,8-9,12-15,18-19,23H,6-7,10-11,16-17H2,1-2H3,(H,29,30)
InChIKeyOALHCECOORZBJP-UHFFFAOYSA-N
MW445.56 g/mol
LogP6.32
Rot. Bonds8

About [5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)phenyl] N-cyclopentylcarbamate

[5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)phenyl] N-cyclopentylcarbamate (PubChem CID 67504979) has the molecular formula C28H31NO4 and a molecular weight of 445.56 g/mol. Its IUPAC name is [5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)phenyl] N-cyclopentylcarbamate.

Molecular Properties

Compound Name[5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)phenyl] N-cyclopentylcarbamate
PubChem CID67504979
Molecular FormulaC28H31NO4
Molecular Weight445.56 g/mol
Exact Mass445.23
IUPAC Name[5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)phenyl] N-cyclopentylcarbamate
SMILESCOc1ccc(-c2ccc(OCCc3ccccc3)c(OC(=O)NC3CCCC3)c2)c(C)c1
InChIInChI=1S/C28H31NO4/c1-20-18-24(31-2)13-14-25(20)22-12-15-26(32-17-16-21-8-4-3-5-9-21)27(19-22)33-28(30)29-23-10-6-7-11-23/h3-5,8-9,12-15,18-19,23H,6-7,10-11,16-17H2,1-2H3,(H,29,30)
InChIKeyOALHCECOORZBJP-UHFFFAOYSA-N
XLogP6.32
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)benzamide
CID 44623963
phenyl N-cyclopentylcarbamate
CID 12791466
2-[4-methoxy-2-(2-phenylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 20987236
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
phenyl N-cyclooctylcarbamate
CID 60636968
[1-(4-methoxyphenyl)-2-methylpropan-2-yl] N-cyclooctylcarbamate
CID 148872501
cyclopropylmethyl 5-(4-methoxy-2-methylphenyl)-2-[(4-methoxyphenyl)methoxy]benzoate
CID 67505198
(3-phenylphenyl) N-cyclopentylcarbamate
CID 24881674
benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate
CID 103392778
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)phenyl] N-cyclopentylcarbamate?
The IUPAC name of [5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)phenyl] N-cyclopentylcarbamate (CID 67504979) is [5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)phenyl] N-cyclopentylcarbamate.
What is the SMILES notation for [5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)phenyl] N-cyclopentylcarbamate?
The canonical SMILES for [5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)phenyl] N-cyclopentylcarbamate is COc1ccc(-c2ccc(OCCc3ccccc3)c(OC(=O)NC3CCCC3)c2)c(C)c1.
What is the InChIKey of [5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)phenyl] N-cyclopentylcarbamate?
The InChIKey is OALHCECOORZBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO4/c1-20-18-24(31-2)13-14-25(20)22-12-15-26(32-17-16-21-8-4-3-5-9-21)27(19-22)33-28(30)29-23-10-6-7-11-23/h3-5,8-9,12-15,18-19,23H,6-7,10-11,16-17H2,1-2H3,(H,29,30).
What are the key properties of [5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)phenyl] N-cyclopentylcarbamate?
[5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)phenyl] N-cyclopentylcarbamate has a molecular weight of 445.56 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxy-2-methylphenyl)-2-(2-phenylethoxy)phenyl] N-cyclopentylcarbamate is sourced from PubChem (CID 67504979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).