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

C21H26N2O5 — CID 108969501

IUPACN-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
SMILESCCOc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H26N2O5/c1-6-28-16-10-7-14(8-11-16)22-19(24)21(2,3)20(25)23-15-9-12-17(26-4)18(13-15)27-5/h7-13H,6H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyLOYISPRZKFNOFO-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.71
Rot. Bonds8

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

N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide (PubChem CID 108969501) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
PubChem CID108969501
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
SMILESCCOc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H26N2O5/c1-6-28-16-10-7-14(8-11-16)22-19(24)21(2,3)20(25)23-15-9-12-17(26-4)18(13-15)27-5/h7-13H,6H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyLOYISPRZKFNOFO-UHFFFAOYSA-N
XLogP3.71
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969664
N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
CID 109009183
methyl 3-[[3-(4-ethoxyanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969510
1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884279
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
N-(3,4-dimethoxyphenyl)-N'-(2-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969309
N-(4-ethoxyphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide
CID 108957697
N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108957501
N-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960294
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
N-(2,5-dimethoxyphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969408
1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea
CID 2206292

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide (CID 108969501) is N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide is CCOc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide?
The InChIKey is LOYISPRZKFNOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-6-28-16-10-7-14(8-11-16)22-19(24)21(2,3)20(25)23-15-9-12-17(26-4)18(13-15)27-5/h7-13H,6H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide?
N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide has a molecular weight of 386.45 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108969501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).