N-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide

C13H18N2O2 — CID 5108045

IUPACN-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide
SMILESCc1cccc(C)c1NC(=O)C(C)(C)NC=O
InChIInChI=1S/C13H18N2O2/c1-9-6-5-7-10(2)11(9)15-12(17)13(3,4)14-8-16/h5-8H,1-4H3,(H,14,16)(H,15,17)
InChIKeyIMCWIOSFFQMCSR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.77
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide

N-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide (PubChem CID 5108045) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide
PubChem CID5108045
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide
SMILESCc1cccc(C)c1NC(=O)C(C)(C)NC=O
InChIInChI=1S/C13H18N2O2/c1-9-6-5-7-10(2)11(9)15-12(17)13(3,4)14-8-16/h5-8H,1-4H3,(H,14,16)(H,15,17)
InChIKeyIMCWIOSFFQMCSR-UHFFFAOYSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide (CID 5108045) is N-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide is Cc1cccc(C)c1NC(=O)C(C)(C)NC=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide?
The InChIKey is IMCWIOSFFQMCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-6-5-7-10(2)11(9)15-12(17)13(3,4)14-8-16/h5-8H,1-4H3,(H,14,16)(H,15,17).
What are the key properties of N-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide?
N-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-formamido-2-methylpropanamide is sourced from PubChem (CID 5108045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).