N,3-bis(2,6-dimethylphenyl)-2-oxopropanamide

C19H21NO2 — CID 158625322

IUPACN,3-bis(2,6-dimethylphenyl)-2-oxopropanamide
SMILESCc1cccc(C)c1CC(=O)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C19H21NO2/c1-12-7-5-8-13(2)16(12)11-17(21)19(22)20-18-14(3)9-6-10-15(18)4/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyHYNCYMWKGBPENN-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.67
Rot. Bonds4

About N,3-bis(2,6-dimethylphenyl)-2-oxopropanamide

N,3-bis(2,6-dimethylphenyl)-2-oxopropanamide (PubChem CID 158625322) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N,3-bis(2,6-dimethylphenyl)-2-oxopropanamide.

Molecular Properties

Compound NameN,3-bis(2,6-dimethylphenyl)-2-oxopropanamide
PubChem CID158625322
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN,3-bis(2,6-dimethylphenyl)-2-oxopropanamide
SMILESCc1cccc(C)c1CC(=O)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C19H21NO2/c1-12-7-5-8-13(2)16(12)11-17(21)19(22)20-18-14(3)9-6-10-15(18)4/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyHYNCYMWKGBPENN-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N,3-bis(4-tert-butyl-2,6-dimethylphenyl)-2-oxopropanamide
CID 158717021
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
(2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide
CID 176944148
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
N'-tert-butyl-N-(2,6-dimethylphenyl)-N'-ethyloxamide
CID 108531366
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
1-(2,6-dimethylphenyl)-3-(methylamino)propan-2-one
CID 116553750
N-(4-chlorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108516687
2-amino-N-(2,6-dimethylphenyl)-2-iminoacetamide
CID 57023460
N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508841

Frequently Asked Questions

What is the IUPAC name of N,3-bis(2,6-dimethylphenyl)-2-oxopropanamide?
The IUPAC name of N,3-bis(2,6-dimethylphenyl)-2-oxopropanamide (CID 158625322) is N,3-bis(2,6-dimethylphenyl)-2-oxopropanamide.
What is the SMILES notation for N,3-bis(2,6-dimethylphenyl)-2-oxopropanamide?
The canonical SMILES for N,3-bis(2,6-dimethylphenyl)-2-oxopropanamide is Cc1cccc(C)c1CC(=O)C(=O)Nc1c(C)cccc1C.
What is the InChIKey of N,3-bis(2,6-dimethylphenyl)-2-oxopropanamide?
The InChIKey is HYNCYMWKGBPENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-12-7-5-8-13(2)16(12)11-17(21)19(22)20-18-14(3)9-6-10-15(18)4/h5-10H,11H2,1-4H3,(H,20,22).
What are the key properties of N,3-bis(2,6-dimethylphenyl)-2-oxopropanamide?
N,3-bis(2,6-dimethylphenyl)-2-oxopropanamide has a molecular weight of 295.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(2,6-dimethylphenyl)-2-oxopropanamide is sourced from PubChem (CID 158625322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).