1-[2-(dimethylamino)ethyl]-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide

C20H30N4O3 — CID 136514271

IUPAC1-[2-(dimethylamino)ethyl]-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CCC(NC(=O)C2CC(=O)N(CCN(C)C)C2)C1
InChIInChI=1S/C20H30N4O3/c1-22(2)10-11-24-13-15(12-19(24)25)20(26)21-16-8-9-23(14-16)17-6-4-5-7-18(17)27-3/h4-7,15-16H,8-14H2,1-3H3,(H,21,26)
InChIKeyZXERSKSJGAARQA-UHFFFAOYSA-N
MW374.49 g/mol
LogP0.80
Rot. Bonds7

About 1-[2-(dimethylamino)ethyl]-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 136514271) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID136514271
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name1-[2-(dimethylamino)ethyl]-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CCC(NC(=O)C2CC(=O)N(CCN(C)C)C2)C1
InChIInChI=1S/C20H30N4O3/c1-22(2)10-11-24-13-15(12-19(24)25)20(26)21-16-8-9-23(14-16)17-6-4-5-7-18(17)27-3/h4-7,15-16H,8-14H2,1-3H3,(H,21,26)
InChIKeyZXERSKSJGAARQA-UHFFFAOYSA-N
XLogP0.80
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide
CID 136514939
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119895345
N-cycloheptyl-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184410
N-(1-benzylpiperidin-4-yl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108800210
(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 100876121
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71921034
1-[2-(dimethylamino)ethyl]-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119451954
4-(dimethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]benzamide
CID 136514299
1-[2-(dimethylamino)ethyl]-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 131947303
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369
1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119453996
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 136514271) is 1-[2-(dimethylamino)ethyl]-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide is COc1ccccc1N1CCC(NC(=O)C2CC(=O)N(CCN(C)C)C2)C1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZXERSKSJGAARQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-22(2)10-11-24-13-15(12-19(24)25)20(26)21-16-8-9-23(14-16)17-6-4-5-7-18(17)27-3/h4-7,15-16H,8-14H2,1-3H3,(H,21,26).
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 136514271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).