N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide

C20H21N3O4 — CID 30679288

IUPACN-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESCOc1cccc(NC(=O)C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1
InChIInChI=1S/C20H21N3O4/c1-13-11-15(8-9-17(13)23-10-4-7-18(23)24)22-20(26)19(25)21-14-5-3-6-16(12-14)27-2/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyNMXPQUAWHGMPQA-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.71
Rot. Bonds4

About N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide

N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide (PubChem CID 30679288) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
PubChem CID30679288
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESCOc1cccc(NC(=O)C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1
InChIInChI=1S/C20H21N3O4/c1-13-11-15(8-9-17(13)23-10-4-7-18(23)24)22-20(26)19(25)21-14-5-3-6-16(12-14)27-2/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyNMXPQUAWHGMPQA-UHFFFAOYSA-N
XLogP2.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679287
N-[(4-methoxyphenyl)methyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584394
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide
CID 74249571
phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
CID 7686624
N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
CID 30679370
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 121054590
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30220125
N-(3-methoxyphenyl)-N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)oxamide
CID 16823305
1-(4-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 25155815
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide
CID 30679260

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The IUPAC name of N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide (CID 30679288) is N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The canonical SMILES for N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide is COc1cccc(NC(=O)C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The InChIKey is NMXPQUAWHGMPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-11-15(8-9-17(13)23-10-4-7-18(23)24)22-20(26)19(25)21-14-5-3-6-16(12-14)27-2/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide has a molecular weight of 367.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 30679288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).