1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide

C26H32N2O4 — CID 55518785

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)NCC3(c4ccccc4)CCC3)CC2=O)cc1OC
InChIInChI=1S/C26H32N2O4/c1-31-22-10-9-19(15-23(22)32-2)11-14-28-17-20(16-24(28)29)25(30)27-18-26(12-6-13-26)21-7-4-3-5-8-21/h3-5,7-10,15,20H,6,11-14,16-18H2,1-2H3,(H,27,30)
InChIKeyLKCTUPDZQSKKOJ-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.33
Rot. Bonds9

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide

1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 55518785) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide
PubChem CID55518785
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)NCC3(c4ccccc4)CCC3)CC2=O)cc1OC
InChIInChI=1S/C26H32N2O4/c1-31-22-10-9-19(15-23(22)32-2)11-14-28-17-20(16-24(28)29)25(30)27-18-26(12-6-13-26)21-7-4-3-5-8-21/h3-5,7-10,15,20H,6,11-14,16-18H2,1-2H3,(H,27,30)
InChIKeyLKCTUPDZQSKKOJ-UHFFFAOYSA-N
XLogP3.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51405841
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154053
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 4787589
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
CID 43021963
(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
(3R)-N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 34279695
(3S)-N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 34279688
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42990212
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 43008531
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 46110109
(3S)-1-(2-methylpropyl)-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 51936826

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide (CID 55518785) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide is COc1ccc(CCN2CC(C(=O)NCC3(c4ccccc4)CCC3)CC2=O)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is LKCTUPDZQSKKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-31-22-10-9-19(15-23(22)32-2)11-14-28-17-20(16-24(28)29)25(30)27-18-26(12-6-13-26)21-7-4-3-5-8-21/h3-5,7-10,15,20H,6,11-14,16-18H2,1-2H3,(H,27,30).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide?
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 436.55 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55518785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).