N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide

C21H26N2O2 — CID 108967928

IUPACN,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C21H26N2O2/c1-13-7-9-17(11-15(13)3)22-19(24)21(5,6)20(25)23-18-10-8-14(2)16(4)12-18/h7-12H,1-6H3,(H,22,24)(H,23,25)
InChIKeyHKSRWKCXENOUHJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.52
Rot. Bonds4

About N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide

N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108967928) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108967928
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C21H26N2O2/c1-13-7-9-17(11-15(13)3)22-19(24)21(5,6)20(25)23-18-10-8-14(2)16(4)12-18/h7-12H,1-6H3,(H,22,24)(H,23,25)
InChIKeyHKSRWKCXENOUHJ-UHFFFAOYSA-N
XLogP4.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.52
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-(3,4-difluorophenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967993
N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965699
N-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide
CID 108957663
N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108966089
N-(3-chloro-2-methylphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967942
N-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967959
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide
CID 108965903
N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968011
N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967197
dimethyl 2,3-bis(3,4-dimethylanilino)but-2-enedioate
CID 71353836
N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970184

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide (CID 108967928) is N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide is Cc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(C)c(C)c2)cc1C.
What is the InChIKey of N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is HKSRWKCXENOUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-13-7-9-17(11-15(13)3)22-19(24)21(5,6)20(25)23-18-10-8-14(2)16(4)12-18/h7-12H,1-6H3,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide?
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 338.45 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108967928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).