N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide

C22H25N3O3 — CID 30680052

IUPACN-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1C
InChIInChI=1S/C22H25N3O3/c1-14-7-9-17(12-16(14)3)23-21(27)22(28)24-18-10-8-15(2)19(13-18)25-11-5-4-6-20(25)26/h7-10,12-13H,4-6,11H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyKOOVOUUZHYSLGP-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.71
Rot. Bonds3

About N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide

N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide (PubChem CID 30680052) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
PubChem CID30680052
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1C
InChIInChI=1S/C22H25N3O3/c1-14-7-9-17(12-16(14)3)23-21(27)22(28)24-18-10-8-15(2)19(13-18)25-11-5-4-6-20(25)26/h7-10,12-13H,4-6,11H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyKOOVOUUZHYSLGP-UHFFFAOYSA-N
XLogP3.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.71
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-fluoro-4-methylphenyl)-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680066
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680044
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
2,2-dimethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 7687770
N'-(5-chloro-2-methoxyphenyl)-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 44901794
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679517
N-[(4-methoxyphenyl)methyl]-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680010
N'-(2,5-difluorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584453
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584450
[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 169357597
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687806

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide (CID 30680052) is N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide is Cc1ccc(NC(=O)C(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide?
The InChIKey is KOOVOUUZHYSLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14-7-9-17(12-16(14)3)23-21(27)22(28)24-18-10-8-15(2)19(13-18)25-11-5-4-6-20(25)26/h7-10,12-13H,4-6,11H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide?
N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide has a molecular weight of 379.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 30680052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).