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

C22H25N3O3 — CID 121054590

IUPACN'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2ccc(C(C)C)cc2)ccc1N1CCCC1=O
InChIInChI=1S/C22H25N3O3/c1-14(2)16-6-8-17(9-7-16)23-21(27)22(28)24-18-10-11-19(15(3)13-18)25-12-4-5-20(25)26/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyKHSNHWPJUMSWBT-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.82
Rot. Bonds4

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

N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide (PubChem CID 121054590) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
PubChem CID121054590
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2ccc(C(C)C)cc2)ccc1N1CCCC1=O
InChIInChI=1S/C22H25N3O3/c1-14(2)16-6-8-17(9-7-16)23-21(27)22(28)24-18-10-11-19(15(3)13-18)25-12-4-5-20(25)26/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyKHSNHWPJUMSWBT-UHFFFAOYSA-N
XLogP3.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
N'-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 44901688
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide
CID 30679260
N-(3-fluorophenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679287
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718577
N-cyclohexyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679262
N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584403
1-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(4-propan-2-ylphenyl)propyl]thiourea
CID 100756857
N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679288
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(pyridin-2-ylmethyl)oxamide
CID 18584398

Frequently Asked Questions

What is the IUPAC name of N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide?
The IUPAC name of N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide (CID 121054590) is N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide?
The canonical SMILES for N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide is Cc1cc(NC(=O)C(=O)Nc2ccc(C(C)C)cc2)ccc1N1CCCC1=O.
What is the InChIKey of N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide?
The InChIKey is KHSNHWPJUMSWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14(2)16-6-8-17(9-7-16)23-21(27)22(28)24-18-10-11-19(15(3)13-18)25-12-4-5-20(25)26/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide?
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide has a molecular weight of 379.46 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 121054590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).