2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide

C18H28N2O3 — CID 108958088

IUPAC2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)CNC(=O)C(C)(C)C(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C18H28N2O3/c1-12(2)11-19-16(21)18(5,6)17(22)20-14-9-7-8-10-15(14)23-13(3)4/h7-10,12-13H,11H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyQOVDKHLITOQUTF-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.21
Rot. Bonds7

About 2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide

2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide (PubChem CID 108958088) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
PubChem CID108958088
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)CNC(=O)C(C)(C)C(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C18H28N2O3/c1-12(2)11-19-16(21)18(5,6)17(22)20-14-9-7-8-10-15(14)23-13(3)4/h7-10,12-13H,11H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyQOVDKHLITOQUTF-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108967269
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108968087
N-(4-chlorophenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108968985
1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109043960
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969587
N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108967570
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966294
N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969538
2-N-(2-methylpropyl)-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109131536
N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108966217
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109012857

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide (CID 108958088) is 2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide is CC(C)CNC(=O)C(C)(C)C(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide?
The InChIKey is QOVDKHLITOQUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12(2)11-19-16(21)18(5,6)17(22)20-14-9-7-8-10-15(14)23-13(3)4/h7-10,12-13H,11H2,1-6H3,(H,19,21)(H,20,22).
What are the key properties of 2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide?
2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide has a molecular weight of 320.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108958088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).