N-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide

C17H26N2O2 — CID 108965970

IUPACN-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1ccc(C)c(NC(=O)C(C)(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-11-8-9-12(2)13(10-11)18-14(20)17(6,7)15(21)19-16(3,4)5/h8-10H,1-7H3,(H,18,20)(H,19,21)
InChIKeyYTYMMSMYKDYTDB-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.18
Rot. Bonds3

About N-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide

N-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108965970) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108965970
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1ccc(C)c(NC(=O)C(C)(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-11-8-9-12(2)13(10-11)18-14(20)17(6,7)15(21)19-16(3,4)5/h8-10H,1-7H3,(H,18,20)(H,19,21)
InChIKeyYTYMMSMYKDYTDB-UHFFFAOYSA-N
XLogP3.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.18
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-(2,5-dimethylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821167
N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108967888
N-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962157
N-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108967866
methyl 2-[[3-(2,5-dimethylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108967901
2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide
CID 79797135
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967923
N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108965988
N-(3-chloro-4-methylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967810
3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919314
N-(2,5-dimethylphenyl)-N'-(1,1-dioxothiolan-3-yl)-N',2,2-trimethylpropanediamide
CID 108964740

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide (CID 108965970) is N-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide is Cc1ccc(C)c(NC(=O)C(C)(C)C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is YTYMMSMYKDYTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11-8-9-12(2)13(10-11)18-14(20)17(6,7)15(21)19-16(3,4)5/h8-10H,1-7H3,(H,18,20)(H,19,21).
What are the key properties of N-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide?
N-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 290.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108965970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).