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

C25H33N3O4 — CID 4787589

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)NCC(c3ccccc3)N(C)C)CC2=O)cc1OC
InChIInChI=1S/C25H33N3O4/c1-27(2)21(19-8-6-5-7-9-19)16-26-25(30)20-15-24(29)28(17-20)13-12-18-10-11-22(31-3)23(14-18)32-4/h5-11,14,20-21H,12-13,15-17H2,1-4H3,(H,26,30)
InChIKeyNBHBYWWKRXIEAH-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.51
Rot. Bonds10

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

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 4787589) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID4787589
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)NCC(c3ccccc3)N(C)C)CC2=O)cc1OC
InChIInChI=1S/C25H33N3O4/c1-27(2)21(19-8-6-5-7-9-19)16-26-25(30)20-15-24(29)28(17-20)13-12-18-10-11-22(31-3)23(14-18)32-4/h5-11,14,20-21H,12-13,15-17H2,1-4H3,(H,26,30)
InChIKeyNBHBYWWKRXIEAH-UHFFFAOYSA-N
XLogP2.51
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43011850
(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-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 100906462
(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
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 120652533
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154053
(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 9465398
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 55518785
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
CID 43021963
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 43008531
(3R)-N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 34279695

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide (CID 4787589) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(CCN2CC(C(=O)NCC(c3ccccc3)N(C)C)CC2=O)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NBHBYWWKRXIEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-27(2)21(19-8-6-5-7-9-19)16-26-25(30)20-15-24(29)28(17-20)13-12-18-10-11-22(31-3)23(14-18)32-4/h5-11,14,20-21H,12-13,15-17H2,1-4H3,(H,26,30).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide?
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4787589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).