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

C20H27N3O3 — CID 18584403

IUPACN-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESCc1cc(NC(=O)C(=O)NC2CCCCCC2)ccc1N1CCCC1=O
InChIInChI=1S/C20H27N3O3/c1-14-13-16(10-11-17(14)23-12-6-9-18(23)24)22-20(26)19(25)21-15-7-4-2-3-5-8-15/h10-11,13,15H,2-9,12H2,1H3,(H,21,25)(H,22,26)
InChIKeyYHPIORUGYFVXFZ-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.90
Rot. Bonds3

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

N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide (PubChem CID 18584403) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
PubChem CID18584403
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESCc1cc(NC(=O)C(=O)NC2CCCCCC2)ccc1N1CCCC1=O
InChIInChI=1S/C20H27N3O3/c1-14-13-16(10-11-17(14)23-12-6-9-18(23)24)22-20(26)19(25)21-15-7-4-2-3-5-8-15/h10-11,13,15H,2-9,12H2,1H3,(H,21,25)(H,22,26)
InChIKeyYHPIORUGYFVXFZ-UHFFFAOYSA-N
XLogP2.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.90
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-cyclohexyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679262
N-cyclopentyl-N'-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679550
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
N-cyclopentyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679166
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 121054590
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-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
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
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 17436801

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The IUPAC name of N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide (CID 18584403) is N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The canonical SMILES for N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide is Cc1cc(NC(=O)C(=O)NC2CCCCCC2)ccc1N1CCCC1=O.
What is the InChIKey of N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The InChIKey is YHPIORUGYFVXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14-13-16(10-11-17(14)23-12-6-9-18(23)24)22-20(26)19(25)21-15-7-4-2-3-5-8-15/h10-11,13,15H,2-9,12H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide has a molecular weight of 357.45 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 18584403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).