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

C20H30N2O2 — CID 108966089

IUPACN-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)NC2CCCCCC2)cc1C
InChIInChI=1S/C20H30N2O2/c1-14-11-12-17(13-15(14)2)22-19(24)20(3,4)18(23)21-16-9-7-5-6-8-10-16/h11-13,16H,5-10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyFJPLDWMRZCBJMC-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.11
Rot. Bonds4

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

N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108966089) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108966089
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)NC2CCCCCC2)cc1C
InChIInChI=1S/C20H30N2O2/c1-14-11-12-17(13-15(14)2)22-19(24)20(3,4)18(23)21-16-9-7-5-6-8-10-16/h11-13,16H,5-10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyFJPLDWMRZCBJMC-UHFFFAOYSA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.11
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-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966110
N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108959081
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928
N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966101
N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide
CID 108958674
N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959030
N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide
CID 108966151
N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959020
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959069
3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109052202
N-cyclopentyl-2-(3,4-dimethylanilino)acetamide
CID 28580510

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide (CID 108966089) is N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide is Cc1ccc(NC(=O)C(C)(C)C(=O)NC2CCCCCC2)cc1C.
What is the InChIKey of N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is FJPLDWMRZCBJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-14-11-12-17(13-15(14)2)22-19(24)20(3,4)18(23)21-16-9-7-5-6-8-10-16/h11-13,16H,5-10H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide?
N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 330.47 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108966089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).