1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxypyrrolidine-1-carbonyl)pyrrolidin-2-one

C20H28N2O5 — CID 108754221

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxypyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(CCN2CC(C(=O)N3CCC(OC)C3)CC2=O)cc1OC
InChIInChI=1S/C20H28N2O5/c1-25-16-7-9-22(13-16)20(24)15-11-19(23)21(12-15)8-6-14-4-5-17(26-2)18(10-14)27-3/h4-5,10,15-16H,6-9,11-13H2,1-3H3
InChIKeyQESRNSOOPCLSCQ-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.34
Rot. Bonds7

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxypyrrolidine-1-carbonyl)pyrrolidin-2-one

1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxypyrrolidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 108754221) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxypyrrolidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxypyrrolidine-1-carbonyl)pyrrolidin-2-one
PubChem CID108754221
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxypyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(CCN2CC(C(=O)N3CCC(OC)C3)CC2=O)cc1OC
InChIInChI=1S/C20H28N2O5/c1-25-16-7-9-22(13-16)20(24)15-11-19(23)21(12-15)8-6-14-4-5-17(26-2)18(10-14)27-3/h4-5,10,15-16H,6-9,11-13H2,1-3H3
InChIKeyQESRNSOOPCLSCQ-UHFFFAOYSA-N
XLogP1.34
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-aminopiperidine-1-carbonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 119376087
4-(3-aminopiperidine-1-carbonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 119380855
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4963915
4-(4-benzoylpiperazine-1-carbonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 47004546
(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidin-2-one
CID 41203116
(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 93018556
methyl 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693183
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154053
(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 129354842
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 43008531
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 55618753
1-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-bis(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 55348796

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxypyrrolidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxypyrrolidine-1-carbonyl)pyrrolidin-2-one (CID 108754221) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxypyrrolidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxypyrrolidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxypyrrolidine-1-carbonyl)pyrrolidin-2-one is COc1ccc(CCN2CC(C(=O)N3CCC(OC)C3)CC2=O)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxypyrrolidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is QESRNSOOPCLSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-25-16-7-9-22(13-16)20(24)15-11-19(23)21(12-15)8-6-14-4-5-17(26-2)18(10-14)27-3/h4-5,10,15-16H,6-9,11-13H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxypyrrolidine-1-carbonyl)pyrrolidin-2-one?
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxypyrrolidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 376.45 g/mol, XLogP of 1.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methoxypyrrolidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 108754221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).