N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide

C20H28N2O4 — CID 136578451

IUPACN-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCCC2C2CCCC2)cc1OC
InChIInChI=1S/C20H28N2O4/c1-25-17-10-9-15(12-18(17)26-2)20(24)21-13-19(23)22-11-5-8-16(22)14-6-3-4-7-14/h9-10,12,14,16H,3-8,11,13H2,1-2H3,(H,21,24)
InChIKeyIKPJNYBYCFKJTQ-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.61
Rot. Bonds6

About N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 136578451) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID136578451
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CCCC2C2CCCC2)cc1OC
InChIInChI=1S/C20H28N2O4/c1-25-17-10-9-15(12-18(17)26-2)20(24)21-13-19(23)22-11-5-8-16(22)14-6-3-4-7-14/h9-10,12,14,16H,3-8,11,13H2,1-2H3,(H,21,24)
InChIKeyIKPJNYBYCFKJTQ-UHFFFAOYSA-N
XLogP2.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-cyclobutylpyrrolidin-1-yl)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 154745313
N-[2-(2-cyclohexylpyrrolidin-1-yl)-2-oxoethyl]-3,4-diethoxybenzamide
CID 60549837
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 9200513
[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 9200516
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345629
N-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 31060671
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51161913
[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8573697
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55551154
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112995523
N-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55347503
3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 46651506

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide (CID 136578451) is N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)N2CCCC2C2CCCC2)cc1OC.
What is the InChIKey of N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is IKPJNYBYCFKJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-17-10-9-15(12-18(17)26-2)20(24)21-13-19(23)22-11-5-8-16(22)14-6-3-4-7-14/h9-10,12,14,16H,3-8,11,13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 360.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 136578451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).