2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide

C17H26N2O2 — CID 108957078

IUPAC2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide
SMILESCCCNC(=O)C(C)(C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C17H26N2O2/c1-6-11-18-15(20)17(4,5)16(21)19-14-10-8-7-9-13(14)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyBUWNXRLKOHLMMV-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.30
Rot. Bonds6

About 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide

2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide (PubChem CID 108957078) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide
PubChem CID108957078
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide
SMILESCCCNC(=O)C(C)(C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C17H26N2O2/c1-6-11-18-15(20)17(4,5)16(21)19-14-10-8-7-9-13(14)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyBUWNXRLKOHLMMV-UHFFFAOYSA-N
XLogP3.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.30
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-(2-fluorophenyl)-2,2-dimethyl-N'-propylpropanediamide
CID 108957085
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963400
2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108960081
2-amino-2-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 60849102
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide
CID 108957073
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108968066
4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109042975
N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108967800
N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
CID 108957871
2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108967343
N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 54818713
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108968465

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide?
The IUPAC name of 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide (CID 108957078) is 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide?
The canonical SMILES for 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide is CCCNC(=O)C(C)(C)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide?
The InChIKey is BUWNXRLKOHLMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-11-18-15(20)17(4,5)16(21)19-14-10-8-7-9-13(14)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide?
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide has a molecular weight of 290.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide is sourced from PubChem (CID 108957078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).