2-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenylethyl)oxolane-3-carboxamide

C21H23NO5 — CID 6618904

IUPAC2-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenylethyl)oxolane-3-carboxamide
SMILESCOc1ccc(C2OC(=O)CC2C(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C21H23NO5/c1-25-17-9-8-15(12-18(17)26-2)20-16(13-19(23)27-20)21(24)22-11-10-14-6-4-3-5-7-14/h3-9,12,16,20H,10-11,13H2,1-2H3,(H,22,24)
InChIKeyGELUSSLIXXCJJG-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.67
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenylethyl)oxolane-3-carboxamide

2-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenylethyl)oxolane-3-carboxamide (PubChem CID 6618904) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenylethyl)oxolane-3-carboxamide
PubChem CID6618904
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name2-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenylethyl)oxolane-3-carboxamide
SMILESCOc1ccc(C2OC(=O)CC2C(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C21H23NO5/c1-25-17-9-8-15(12-18(17)26-2)20-16(13-19(23)27-20)21(24)22-11-10-14-6-4-3-5-7-14/h3-9,12,16,20H,10-11,13H2,1-2H3,(H,22,24)
InChIKeyGELUSSLIXXCJJG-UHFFFAOYSA-N
XLogP2.67
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide
CID 4642297
(4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one
CID 71428897
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 2862508
2-[(2R)-2-(3,4-dimethoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-(2-phenylethyl)acetamide
CID 27444534
(2R,3R)-N-benzyl-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 110087637
2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109137440
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51405841
6-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 3710979
(2S,3R)-5-oxo-2-(3,4,5-trimethoxyphenyl)oxolane-3-carboxylic acid
CID 97034964
1-N-butyl-5-(3,4-dimethoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865453
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083429
(1S,6S)-3,4-dimethyl-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 841445

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenylethyl)oxolane-3-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenylethyl)oxolane-3-carboxamide (CID 6618904) is 2-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenylethyl)oxolane-3-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenylethyl)oxolane-3-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenylethyl)oxolane-3-carboxamide is COc1ccc(C2OC(=O)CC2C(=O)NCCc2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenylethyl)oxolane-3-carboxamide?
The InChIKey is GELUSSLIXXCJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-25-17-9-8-15(12-18(17)26-2)20-16(13-19(23)27-20)21(24)22-11-10-14-6-4-3-5-7-14/h3-9,12,16,20H,10-11,13H2,1-2H3,(H,22,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenylethyl)oxolane-3-carboxamide?
2-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenylethyl)oxolane-3-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 6618904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).