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

C20H21N3O5 — CID 30679370

IUPACN'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)cc1
InChIInChI=1S/C20H21N3O5/c1-27-15-8-5-13(6-9-15)21-19(25)20(26)22-14-7-10-16(17(12-14)28-2)23-11-3-4-18(23)24/h5-10,12H,3-4,11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyXTQIZQJMYRKRCK-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.41
Rot. Bonds5

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

N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide (PubChem CID 30679370) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
PubChem CID30679370
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)cc1
InChIInChI=1S/C20H21N3O5/c1-27-15-8-5-13(6-9-15)21-19(25)20(26)22-14-7-10-16(17(12-14)28-2)23-11-3-4-18(23)24/h5-10,12H,3-4,11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyXTQIZQJMYRKRCK-UHFFFAOYSA-N
XLogP2.41
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
2,4-dimethoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686728
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
N-[(4-methoxyphenyl)methyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584394
N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679288
(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-(4-methoxyphenyl)thiourea
CID 43076215
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
2,6-difluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686672

Frequently Asked Questions

What is the IUPAC name of N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide?
The IUPAC name of N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide (CID 30679370) is N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide?
The canonical SMILES for N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)cc1.
What is the InChIKey of N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide?
The InChIKey is XTQIZQJMYRKRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-27-15-8-5-13(6-9-15)21-19(25)20(26)22-14-7-10-16(17(12-14)28-2)23-11-3-4-18(23)24/h5-10,12H,3-4,11H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide?
N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide has a molecular weight of 383.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 30679370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).