N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide

C21H26N2O3 — CID 108968149

IUPACN-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
SMILESCCOc1ccc(NC(=O)C(C)(C)C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C21H26N2O3/c1-6-26-17-12-10-16(11-13-17)22-19(24)21(4,5)20(25)23-18-9-7-8-14(2)15(18)3/h7-13H,6H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyQUFVKMHDIBQSBC-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.31
Rot. Bonds6

About N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide

N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide (PubChem CID 108968149) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
PubChem CID108968149
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
SMILESCCOc1ccc(NC(=O)C(C)(C)C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C21H26N2O3/c1-6-26-17-12-10-16(11-13-17)22-19(24)21(4,5)20(25)23-18-9-7-8-14(2)15(18)3/h7-13H,6H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyQUFVKMHDIBQSBC-UHFFFAOYSA-N
XLogP4.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.31
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-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9288005
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-propylpropanediamide
CID 108957073
methyl 3-[[3-(4-ethoxyanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969510
(2S)-N-(2,3-dimethylphenyl)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7730417
N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108957501
N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide
CID 108957697
1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860109
N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969501
N-(2,3-dimethylphenyl)-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 26538532
5-(2,3-dimethylanilino)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109291428
N-(2,3-dimethylphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109162787
N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
CID 26242416

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide (CID 108968149) is N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide is CCOc1ccc(NC(=O)C(C)(C)C(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide?
The InChIKey is QUFVKMHDIBQSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-6-26-17-12-10-16(11-13-17)22-19(24)21(4,5)20(25)23-18-9-7-8-14(2)15(18)3/h7-13H,6H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide?
N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide has a molecular weight of 354.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108968149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).