1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C27H29N3O5 — CID 108755999

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)N(Cc3ccccn3)c3ccccc3O)CC2=O)cc1OC
InChIInChI=1S/C27H29N3O5/c1-34-24-11-10-19(15-25(24)35-2)12-14-29-17-20(16-26(29)32)27(33)30(18-21-7-5-6-13-28-21)22-8-3-4-9-23(22)31/h3-11,13,15,20,31H,12,14,16-18H2,1-2H3
InChIKeyQOFCQTHBKPHXBW-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.43
Rot. Bonds9

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 108755999) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID108755999
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)N(Cc3ccccn3)c3ccccc3O)CC2=O)cc1OC
InChIInChI=1S/C27H29N3O5/c1-34-24-11-10-19(15-25(24)35-2)12-14-29-17-20(16-26(29)32)27(33)30(18-21-7-5-6-13-28-21)22-8-3-4-9-23(22)31/h3-11,13,15,20,31H,12,14,16-18H2,1-2H3
InChIKeyQOFCQTHBKPHXBW-UHFFFAOYSA-N
XLogP3.43
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 46110109
1-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-bis(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 55348796
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4963915
1-[2-[4-methoxy-3-(3-phenylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 20990714
N-[(4-bromophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 112790138
2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid
CID 119206525
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42989525
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-methylphenyl)methyl]-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 60588943
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51405841
methyl 1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693183
(3R)-N-[3-[benzyl(methyl)amino]propyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 51868854
N-[3-[benzyl(methyl)amino]propyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43052709

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 108755999) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is COc1ccc(CCN2CC(C(=O)N(Cc3ccccn3)c3ccccc3O)CC2=O)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is QOFCQTHBKPHXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-34-24-11-10-19(15-25(24)35-2)12-14-29-17-20(16-26(29)32)27(33)30(18-21-7-5-6-13-28-21)22-8-3-4-9-23(22)31/h3-11,13,15,20,31H,12,14,16-18H2,1-2H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 108755999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).