N-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide

C21H25N3O3 — CID 108968225

IUPACN-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H25N3O3/c1-5-15-8-6-7-9-18(15)24-20(27)21(3,4)19(26)23-17-12-10-16(11-13-17)22-14(2)25/h6-13H,5H2,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyKUPMCBLGPBCIBG-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.81
Rot. Bonds6

About N-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide

N-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108968225) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108968225
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H25N3O3/c1-5-15-8-6-7-9-18(15)24-20(27)21(3,4)19(26)23-17-12-10-16(11-13-17)22-14(2)25/h6-13H,5H2,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyKUPMCBLGPBCIBG-UHFFFAOYSA-N
XLogP3.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968190
N-(4-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968199
N-(2-ethylphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108968210
N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968198
N-(2-ethylphenyl)-2-methyl-2-phenylpropanamide
CID 8839434
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
N-[(4-chlorophenyl)methyl]-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962819
N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 5203478
N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
CID 108968637
N-(4-acetylphenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968875
N-(2-ethylphenyl)-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108960926
N-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108963266

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide (CID 108968225) is N-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide is CCc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is KUPMCBLGPBCIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-5-15-8-6-7-9-18(15)24-20(27)21(3,4)19(26)23-17-12-10-16(11-13-17)22-14(2)25/h6-13H,5H2,1-4H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide?
N-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 367.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108968225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).