N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide

C18H28N2O2 — CID 108966265

IUPACN-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
SMILESCc1cc(C)cc(NC(=O)C(C)(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C18H28N2O2/c1-12(2)7-8-19-16(21)18(5,6)17(22)20-15-10-13(3)9-14(4)11-15/h9-12H,7-8H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyDXOYGIZIZNKJJD-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.43
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide

N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide (PubChem CID 108966265) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
PubChem CID108966265
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
SMILESCc1cc(C)cc(NC(=O)C(C)(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C18H28N2O2/c1-12(2)7-8-19-16(21)18(5,6)17(22)20-15-10-13(3)9-14(4)11-15/h9-12H,7-8H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyDXOYGIZIZNKJJD-UHFFFAOYSA-N
XLogP3.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.43
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-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966311
N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108960255
N-[3-(dimethylamino)propyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108960576
3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056183
N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961727
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966271
N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968011
2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide
CID 108963827
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966294
N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967996
N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968044
2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide
CID 104936395

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide (CID 108966265) is N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide is Cc1cc(C)cc(NC(=O)C(C)(C)C(=O)NCCC(C)C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
The InChIKey is DXOYGIZIZNKJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12(2)7-8-19-16(21)18(5,6)17(22)20-15-10-13(3)9-14(4)11-15/h9-12H,7-8H2,1-6H3,(H,19,21)(H,20,22).
What are the key properties of N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide has a molecular weight of 304.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide is sourced from PubChem (CID 108966265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).