N'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide

C21H30N4O5 — CID 139014730

IUPACN'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide
SMILESCCN1CCC1CNC(=O)C(=O)N(C)C1CCN(c2cc(OC)cc(OC)c2)C1=O
InChIInChI=1S/C21H30N4O5/c1-5-24-8-6-14(24)13-22-19(26)21(28)23(2)18-7-9-25(20(18)27)15-10-16(29-3)12-17(11-15)30-4/h10-12,14,18H,5-9,13H2,1-4H3,(H,22,26)
InChIKeyIDDOEFFZPSTELE-UHFFFAOYSA-N
MW418.49 g/mol
LogP0.48
Rot. Bonds7

About N'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide

N'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide (PubChem CID 139014730) has the molecular formula C21H30N4O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is N'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide.

Molecular Properties

Compound NameN'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide
PubChem CID139014730
Molecular FormulaC21H30N4O5
Molecular Weight418.49 g/mol
Exact Mass418.22
IUPAC NameN'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide
SMILESCCN1CCC1CNC(=O)C(=O)N(C)C1CCN(c2cc(OC)cc(OC)c2)C1=O
InChIInChI=1S/C21H30N4O5/c1-5-24-8-6-14(24)13-22-19(26)21(28)23(2)18-7-9-25(20(18)27)15-10-16(29-3)12-17(11-15)30-4/h10-12,14,18H,5-9,13H2,1-4H3,(H,22,26)
InChIKeyIDDOEFFZPSTELE-UHFFFAOYSA-N
XLogP0.48
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
CID 119341756
2-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpentanamide;hydrochloride
CID 119341758
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119815344
7-amino-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylheptanamide;hydrochloride
CID 119815316
(3S)-3-[2,2-difluoroethyl(methyl)amino]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one
CID 96525253
3-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 120904511
3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
CID 120611677
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940318
(3S)-1-(3,5-dimethoxyphenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrrolidin-2-one
CID 124508156
2-methoxy-N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95303783
1-(3,5-dimethoxyphenyl)-3-[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]pyrrolidin-2-one
CID 120904514
1-(3,5-dimethoxyphenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]pyrrolidin-2-one
CID 133428745

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide?
The IUPAC name of N'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide (CID 139014730) is N'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide.
What is the SMILES notation for N'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide?
The canonical SMILES for N'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide is CCN1CCC1CNC(=O)C(=O)N(C)C1CCN(c2cc(OC)cc(OC)c2)C1=O.
What is the InChIKey of N'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide?
The InChIKey is IDDOEFFZPSTELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O5/c1-5-24-8-6-14(24)13-22-19(26)21(28)23(2)18-7-9-25(20(18)27)15-10-16(29-3)12-17(11-15)30-4/h10-12,14,18H,5-9,13H2,1-4H3,(H,22,26).
What are the key properties of N'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide?
N'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide has a molecular weight of 418.49 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-[(1-ethylazetidin-2-yl)methyl]-N'-methyloxamide is sourced from PubChem (CID 139014730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).