N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide

C18H28N2O2 — CID 108965978

IUPACN-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1cccc(C)c1NC(=O)C(C)(C)C(=O)NC(C)(C)C
InChIInChI=1S/C18H28N2O2/c1-8-13-11-9-10-12(2)14(13)19-15(21)18(6,7)16(22)20-17(3,4)5/h9-11H,8H2,1-7H3,(H,19,21)(H,20,22)
InChIKeyXQQTYXWAEDGLQF-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.44
Rot. Bonds4

About N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide

N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108965978) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
PubChem CID108965978
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1cccc(C)c1NC(=O)C(C)(C)C(=O)NC(C)(C)C
InChIInChI=1S/C18H28N2O2/c1-8-13-11-9-10-12(2)14(13)19-15(21)18(6,7)16(22)20-17(3,4)5/h9-11H,8H2,1-7H3,(H,19,21)(H,20,22)
InChIKeyXQQTYXWAEDGLQF-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.44
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

3-(2-ethyl-6-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82814205
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962022
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966271
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108968426
N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
CID 108966096
N-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide
CID 108966502
methyl 3-[[3-(2-ethyl-6-methylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108968411
N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962937
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide (CID 108965978) is N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide is CCc1cccc(C)c1NC(=O)C(C)(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is XQQTYXWAEDGLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-8-13-11-9-10-12(2)14(13)19-15(21)18(6,7)16(22)20-17(3,4)5/h9-11H,8H2,1-7H3,(H,19,21)(H,20,22).
What are the key properties of N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide?
N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 304.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108965978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).