N-cyclopentyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide

C18H23NO5 — CID 4642297

IUPACN-cyclopentyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide
SMILESCOc1ccc(C2OC(=O)CC2C(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C18H23NO5/c1-22-14-8-7-11(9-15(14)23-2)17-13(10-16(20)24-17)18(21)19-12-5-3-4-6-12/h7-9,12-13,17H,3-6,10H2,1-2H3,(H,19,21)
InChIKeyDSQFXZNTQNPZRG-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.37
Rot. Bonds5

About N-cyclopentyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide

N-cyclopentyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide (PubChem CID 4642297) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide
PubChem CID4642297
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC NameN-cyclopentyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide
SMILESCOc1ccc(C2OC(=O)CC2C(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C18H23NO5/c1-22-14-8-7-11(9-15(14)23-2)17-13(10-16(20)24-17)18(21)19-12-5-3-4-6-12/h7-9,12-13,17H,3-6,10H2,1-2H3,(H,19,21)
InChIKeyDSQFXZNTQNPZRG-UHFFFAOYSA-N
XLogP2.37
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one
CID 71428897
2-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenylethyl)oxolane-3-carboxamide
CID 6618904
1-N-cyclohexyl-2-N-[(3,4-dimethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109132413
(2S,3R)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-5-oxomorpholine-2-carboxamide
CID 134711907
(2S,3R)-5-oxo-2-(3,4,5-trimethoxyphenyl)oxolane-3-carboxylic acid
CID 97034964
(2R,3S)-5-oxo-2-(3,4,5-trimethoxyphenyl)oxolane-3-carboxylic acid
CID 97034967
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
4-(3,4-dimethoxybenzoyl)oxetan-2-one
CID 117059900
(2R,3S)-2-(3-ethoxy-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 97034807
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide
CID 46949162
2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139753

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide?
The IUPAC name of N-cyclopentyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide (CID 4642297) is N-cyclopentyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide is COc1ccc(C2OC(=O)CC2C(=O)NC2CCCC2)cc1OC.
What is the InChIKey of N-cyclopentyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide?
The InChIKey is DSQFXZNTQNPZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-22-14-8-7-11(9-15(14)23-2)17-13(10-16(20)24-17)18(21)19-12-5-3-4-6-12/h7-9,12-13,17H,3-6,10H2,1-2H3,(H,19,21).
What are the key properties of N-cyclopentyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide?
N-cyclopentyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide has a molecular weight of 333.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide is sourced from PubChem (CID 4642297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).