N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide

C21H26N2O2 — CID 108968190

IUPACN,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccccc1CC
InChIInChI=1S/C21H26N2O2/c1-5-15-11-7-9-13-17(15)22-19(24)21(3,4)20(25)23-18-14-10-8-12-16(18)6-2/h7-14H,5-6H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyRUNYULXBXCIEPT-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.41
Rot. Bonds6

About N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide

N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108968190) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108968190
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccccc1CC
InChIInChI=1S/C21H26N2O2/c1-5-15-11-7-9-13-17(15)22-19(24)21(3,4)20(25)23-18-14-10-8-12-16(18)6-2/h7-14H,5-6H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyRUNYULXBXCIEPT-UHFFFAOYSA-N
XLogP4.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968225
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-[(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-(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
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-ethylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964450
N-(1,1-dioxothiolan-3-yl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108964648

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide (CID 108968190) is N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide is CCc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccccc1CC.
What is the InChIKey of N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is RUNYULXBXCIEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-15-11-7-9-13-17(15)22-19(24)21(3,4)20(25)23-18-14-10-8-12-16(18)6-2/h7-14H,5-6H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide?
N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 338.45 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108968190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).