N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H28N2O5 — CID 85002063

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CC(=O)N(c3cc(C)ccc3OC)C2)cc1OC
InChIInChI=1S/C23H28N2O5/c1-15-5-7-19(28-2)18(11-15)25-14-17(13-22(25)26)23(27)24-10-9-16-6-8-20(29-3)21(12-16)30-4/h5-8,11-12,17H,9-10,13-14H2,1-4H3,(H,24,27)
InChIKeyOPRNPABANUUAHT-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.73
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 85002063) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID85002063
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CC(=O)N(c3cc(C)ccc3OC)C2)cc1OC
InChIInChI=1S/C23H28N2O5/c1-15-5-7-19(28-2)18(11-15)25-14-17(13-22(25)26)23(27)24-10-9-16-6-8-20(29-3)21(12-16)30-4/h5-8,11-12,17H,9-10,13-14H2,1-4H3,(H,24,27)
InChIKeyOPRNPABANUUAHT-UHFFFAOYSA-N
XLogP2.73
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78823927
1-(2-methoxy-5-methylphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119501870
(3R)-1-(2-methoxy-5-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9455442
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17191897
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 9363496
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 9363499
4-[[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 108788320
1-(2-cyanophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113191756
(3R)-1-(4-tert-butylphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 1202158
1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 17151811
1-(2-methoxy-5-methylphenyl)-N-[2-(N-methylanilino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55447438
1-(2-methoxy-5-methylphenyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119446786

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 85002063) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(CCNC(=O)C2CC(=O)N(c3cc(C)ccc3OC)C2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OPRNPABANUUAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-15-5-7-19(28-2)18(11-15)25-14-17(13-22(25)26)23(27)24-10-9-16-6-8-20(29-3)21(12-16)30-4/h5-8,11-12,17H,9-10,13-14H2,1-4H3,(H,24,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 85002063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).