N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide

C21H26N2O3 — CID 108967888

IUPACN-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)(C)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C21H26N2O3/c1-13-7-9-15(3)16(11-13)22-19(24)21(4,5)20(25)23-17-12-14(2)8-10-18(17)26-6/h7-12H,1-6H3,(H,22,24)(H,23,25)
InChIKeyIBCZNTHKIDKSSR-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.22
Rot. Bonds5

About N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide

N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108967888) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
PubChem CID108967888
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)(C)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C21H26N2O3/c1-13-7-9-15(3)16(11-13)22-19(24)21(4,5)20(25)23-17-12-14(2)8-10-18(17)26-6/h7-12H,1-6H3,(H,22,24)(H,23,25)
InChIKeyIBCZNTHKIDKSSR-UHFFFAOYSA-N
XLogP4.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.22
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

N-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108965970
N-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108958662
3-(2,5-dimethylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821167
N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969538
methyl 2-[[3-(2,5-dimethylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108967901
N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963733
2-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide
CID 110438702
2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide
CID 113250776
N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108969573
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
N-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108967866

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide (CID 108967888) is N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide is COc1ccc(C)cc1NC(=O)C(C)(C)C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is IBCZNTHKIDKSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-13-7-9-15(3)16(11-13)22-19(24)21(4,5)20(25)23-17-12-14(2)8-10-18(17)26-6/h7-12H,1-6H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide?
N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 354.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108967888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).