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

C21H25N3O5 — CID 108969664

IUPACN-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C21H25N3O5/c1-13(25)22-14-6-8-15(9-7-14)23-19(26)21(2,3)20(27)24-16-10-11-17(28-4)18(12-16)29-5/h6-12H,1-5H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyBWBWDXGPGIHDPM-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.27
Rot. Bonds7

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

N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide (PubChem CID 108969664) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
PubChem CID108969664
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C21H25N3O5/c1-13(25)22-14-6-8-15(9-7-14)23-19(26)21(2,3)20(27)24-16-10-11-17(28-4)18(12-16)29-5/h6-12H,1-5H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyBWBWDXGPGIHDPM-UHFFFAOYSA-N
XLogP3.27
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969501
N-(3,4-dimethoxyphenyl)-N'-(2-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969309
N-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960294
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967055
N-(2-cyanophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969671
N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963883
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
N-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438838
N-(2,5-dimethoxyphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969408
(3,4-dimethoxyphenyl)urea
CID 21197430
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide
CID 141461725
N-[(3,4-dimethoxyphenyl)methyl]-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108965127

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide (CID 108969664) is N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide is COc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC.
What is the InChIKey of N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide?
The InChIKey is BWBWDXGPGIHDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-13(25)22-14-6-8-15(9-7-14)23-19(26)21(2,3)20(27)24-16-10-11-17(28-4)18(12-16)29-5/h6-12H,1-5H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide?
N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide has a molecular weight of 399.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108969664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).