N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide

C19H30N2O2 — CID 108957871

IUPACN-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
SMILESCCCCNC(=O)C(C)(C)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-7-8-13-20-16(22)19(5,6)17(23)21-15-12-10-9-11-14(15)18(2,3)4/h9-12H,7-8,13H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyXUFFTVJHSLNEGD-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.87
Rot. Bonds6

About N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide

N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108957871) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
PubChem CID108957871
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
SMILESCCCCNC(=O)C(C)(C)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-7-8-13-20-16(22)19(5,6)17(23)21-15-12-10-9-11-14(15)18(2,3)4/h9-12H,7-8,13H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyXUFFTVJHSLNEGD-UHFFFAOYSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-tert-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821778
ethyl 2-[[2,2-dimethyl-3-oxo-3-(pentylamino)propanoyl]amino]benzoate
CID 108966468
N-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide
CID 108957085
N-(2-tert-butylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962027
2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide
CID 109094300
N-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967447
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide
CID 108957078
2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride
CID 119399942
N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966394
N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108957863
N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
CID 108968637
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide
CID 108957073

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide (CID 108957871) is N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide is CCCCNC(=O)C(C)(C)C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is XUFFTVJHSLNEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-7-8-13-20-16(22)19(5,6)17(23)21-15-12-10-9-11-14(15)18(2,3)4/h9-12H,7-8,13H2,1-6H3,(H,20,22)(H,21,23).
What are the key properties of N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide?
N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 318.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108957871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).