N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide

C18H24N2O5 — CID 90567907

IUPACN-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(C3CCOCC3)C2)cc1OC
InChIInChI=1S/C18H24N2O5/c1-23-15-4-3-13(10-16(15)24-2)19-18(22)12-9-17(21)20(11-12)14-5-7-25-8-6-14/h3-4,10,12,14H,5-9,11H2,1-2H3,(H,19,22)
InChIKeyUAAVKFAMTDQEMA-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.67
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide

N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90567907) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90567907
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC NameN-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(C3CCOCC3)C2)cc1OC
InChIInChI=1S/C18H24N2O5/c1-23-15-4-3-13(10-16(15)24-2)19-18(22)12-9-17(21)20(11-12)14-5-7-25-8-6-14/h3-4,10,12,14H,5-9,11H2,1-2H3,(H,19,22)
InChIKeyUAAVKFAMTDQEMA-UHFFFAOYSA-N
XLogP1.67
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567832
(3R)-1-cyclopropyl-N-(3,4-diethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 38207326
N-(3-methylsulfanylphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567947
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017
N-[3-(difluoromethoxy)phenyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567994
methyl 4-[4-[(3,4-dimethoxyphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189485
[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 8953295
1-cyclobutyl-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110687575
(3R)-1-cyclopropyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51595823
1-cyclopentyl-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 42925894
(3S)-1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 9364754
(3R)-N-(4-ethoxy-3-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9102375

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 90567907) is N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(C3CCOCC3)C2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UAAVKFAMTDQEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-23-15-4-3-13(10-16(15)24-2)19-18(22)12-9-17(21)20(11-12)14-5-7-25-8-6-14/h3-4,10,12,14H,5-9,11H2,1-2H3,(H,19,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90567907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).