N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]oxolane-2-carboxamide

C20H28N2O5 — CID 110603216

IUPACN-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]oxolane-2-carboxamide
SMILESCOc1ccc(CCN2CC(CNC(=O)C3CCCO3)CC2=O)cc1OC
InChIInChI=1S/C20H28N2O5/c1-25-16-6-5-14(10-18(16)26-2)7-8-22-13-15(11-19(22)23)12-21-20(24)17-4-3-9-27-17/h5-6,10,15,17H,3-4,7-9,11-13H2,1-2H3,(H,21,24)
InChIKeyQWQATJSPJUDVDB-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.39
Rot. Bonds8

About N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]oxolane-2-carboxamide

N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]oxolane-2-carboxamide (PubChem CID 110603216) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]oxolane-2-carboxamide
PubChem CID110603216
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC NameN-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]oxolane-2-carboxamide
SMILESCOc1ccc(CCN2CC(CNC(=O)C3CCCO3)CC2=O)cc1OC
InChIInChI=1S/C20H28N2O5/c1-25-16-6-5-14(10-18(16)26-2)7-8-22-13-15(11-19(22)23)12-21-20(24)17-4-3-9-27-17/h5-6,10,15,17H,3-4,7-9,11-13H2,1-2H3,(H,21,24)
InChIKeyQWQATJSPJUDVDB-UHFFFAOYSA-N
XLogP1.39
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]cyclopropanecarboxamide
CID 110420777
1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]-3-(2-methoxyethyl)urea
CID 110418747
3-acetamido-N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 110421276
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110420802
4-(aminomethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one;hydrochloride
CID 52988220
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
CID 110420810
N-[2-(4-methoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110787404
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154053
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4963915
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51405841
(3S)-N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 34279688
(3R)-N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 34279695

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]oxolane-2-carboxamide (CID 110603216) is N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]oxolane-2-carboxamide is COc1ccc(CCN2CC(CNC(=O)C3CCCO3)CC2=O)cc1OC.
What is the InChIKey of N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]oxolane-2-carboxamide?
The InChIKey is QWQATJSPJUDVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-25-16-6-5-14(10-18(16)26-2)7-8-22-13-15(11-19(22)23)12-21-20(24)17-4-3-9-27-17/h5-6,10,15,17H,3-4,7-9,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]oxolane-2-carboxamide?
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]oxolane-2-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 110603216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).