2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide

C15H22N2O2 — CID 108957263

IUPAC2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)NC(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-10(2)16-13(18)15(4,5)14(19)17-12-8-6-11(3)7-9-12/h6-10H,1-5H3,(H,16,18)(H,17,19)
InChIKeyCIPBPRCAAHXIRO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.48
Rot. Bonds4

About 2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide

2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide (PubChem CID 108957263) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide
PubChem CID108957263
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)NC(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-10(2)16-13(18)15(4,5)14(19)17-12-8-6-11(3)7-9-12/h6-10H,1-5H3,(H,16,18)(H,17,19)
InChIKeyCIPBPRCAAHXIRO-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide
CID 108957314
2,2-dimethyl-N,N'-di(propan-2-yl)propanediamide
CID 108957169
2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108967489
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967527
2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108957311
N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967452
N-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967447
N-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108958264
N-butan-2-yl-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108958261
N-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962173
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928
1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea
CID 113342009

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide?
The IUPAC name of 2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide (CID 108957263) is 2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide is Cc1ccc(NC(=O)C(C)(C)C(=O)NC(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide?
The InChIKey is CIPBPRCAAHXIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)16-13(18)15(4,5)14(19)17-12-8-6-11(3)7-9-12/h6-10H,1-5H3,(H,16,18)(H,17,19).
What are the key properties of 2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide?
2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide has a molecular weight of 262.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide is sourced from PubChem (CID 108957263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).