methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate

C21H23NO5 — CID 19428226

IUPACmethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C21H23NO5/c1-25-18-12-11-14(13-19(18)27-15-7-3-4-8-15)22-20(23)16-9-5-6-10-17(16)21(24)26-2/h5-6,9-13,15H,3-4,7-8H2,1-2H3,(H,22,23)
InChIKeyQJIDENQIYKXFLI-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.06
Rot. Bonds6

About methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate

methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate (PubChem CID 19428226) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
PubChem CID19428226
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Namemethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C21H23NO5/c1-25-18-12-11-14(13-19(18)27-15-7-3-4-8-15)22-20(23)16-9-5-6-10-17(16)21(24)26-2/h5-6,9-13,15H,3-4,7-8H2,1-2H3,(H,22,23)
InChIKeyQJIDENQIYKXFLI-UHFFFAOYSA-N
XLogP4.06
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide
CID 31870921
2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide
CID 31871992
N-(3-cyclopentyloxy-4-methoxyphenyl)furan-3-carboxamide
CID 31872175
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea
CID 75414342
methyl 2-cyclohexyloxybenzoate
CID 11345342
N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide
CID 46416423
2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide
CID 110602595
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
N-(3-cyclopentyloxy-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55591626
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide
CID 31871009

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate?
The IUPAC name of methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate (CID 19428226) is methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate is COC(=O)c1ccccc1C(=O)Nc1ccc(OC)c(OC2CCCC2)c1.
What is the InChIKey of methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate?
The InChIKey is QJIDENQIYKXFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-25-18-12-11-14(13-19(18)27-15-7-3-4-8-15)22-20(23)16-9-5-6-10-17(16)21(24)26-2/h5-6,9-13,15H,3-4,7-8H2,1-2H3,(H,22,23).
What are the key properties of methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate?
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate has a molecular weight of 369.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate is sourced from PubChem (CID 19428226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).