1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C23H26N6O4 — CID 55676971

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)Nc3cccc(-n4nnnc4C)c3)CC2=O)cc1OC
InChIInChI=1S/C23H26N6O4/c1-15-25-26-27-29(15)19-6-4-5-18(13-19)24-23(31)17-12-22(30)28(14-17)10-9-16-7-8-20(32-2)21(11-16)33-3/h4-8,11,13,17H,9-10,12,14H2,1-3H3,(H,24,31)
InChIKeyCZOVCRKEXXRXFL-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.02
Rot. Bonds8

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55676971) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55676971
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)Nc3cccc(-n4nnnc4C)c3)CC2=O)cc1OC
InChIInChI=1S/C23H26N6O4/c1-15-25-26-27-29(15)19-6-4-5-18(13-19)24-23(31)17-12-22(30)28(14-17)10-9-16-7-8-20(32-2)21(11-16)33-3/h4-8,11,13,17H,9-10,12,14H2,1-3H3,(H,24,31)
InChIKeyCZOVCRKEXXRXFL-UHFFFAOYSA-N
XLogP2.02
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43010153
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43010219
N-(3-cyanophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 51143300
(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41104971
(3S)-N-(4-bromo-3-methylphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 2403428
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42997316
N-(3,4-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46797618
(3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95295849
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42655350
1-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185132
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51405841
(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 29131227

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 55676971) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(CCN2CC(C(=O)Nc3cccc(-n4nnnc4C)c3)CC2=O)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CZOVCRKEXXRXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-15-25-26-27-29(15)19-6-4-5-18(13-19)24-23(31)17-12-22(30)28(14-17)10-9-16-7-8-20(32-2)21(11-16)33-3/h4-8,11,13,17H,9-10,12,14H2,1-3H3,(H,24,31).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55676971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).