N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide

C21H25NO4 — CID 55810457

IUPACN-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccccc2OC2CCCC2)c1OC
InChIInChI=1S/C21H25NO4/c1-24-19-13-7-11-17(20(19)25-2)21(23)22-14-15-8-3-6-12-18(15)26-16-9-4-5-10-16/h3,6-8,11-13,16H,4-5,9-10,14H2,1-2H3,(H,22,23)
InChIKeyJRYBBPXMEVELCU-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.96
Rot. Bonds7

About N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide

N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide (PubChem CID 55810457) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide
PubChem CID55810457
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccccc2OC2CCCC2)c1OC
InChIInChI=1S/C21H25NO4/c1-24-19-13-7-11-17(20(19)25-2)21(23)22-14-15-8-3-6-12-18(15)26-16-9-4-5-10-16/h3,6-8,11-13,16H,4-5,9-10,14H2,1-2H3,(H,22,23)
InChIKeyJRYBBPXMEVELCU-UHFFFAOYSA-N
XLogP3.96
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
N-[(2-cyclobutyloxyphenyl)methyl]-2-(methylamino)acetamide
CID 119796176
(2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide
CID 119324261
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108
2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 46590599
2-methoxy-N-[(2-methoxyphenyl)methyl]-3,5-dimethylbenzamide
CID 110762822
N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide
CID 114313919

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide (CID 55810457) is N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCc2ccccc2OC2CCCC2)c1OC.
What is the InChIKey of N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide?
The InChIKey is JRYBBPXMEVELCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-24-19-13-7-11-17(20(19)25-2)21(23)22-14-15-8-3-6-12-18(15)26-16-9-4-5-10-16/h3,6-8,11-13,16H,4-5,9-10,14H2,1-2H3,(H,22,23).
What are the key properties of N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide?
N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide has a molecular weight of 355.43 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 55810457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).