N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide

C22H34N2O2 — CID 108966101

IUPACN-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C22H34N2O2/c1-21(2,3)16-12-14-18(15-13-16)24-20(26)22(4,5)19(25)23-17-10-8-6-7-9-11-17/h12-15,17H,6-11H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyJTAKPIYFQFQXND-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.79
Rot. Bonds4

About N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide

N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide (PubChem CID 108966101) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
PubChem CID108966101
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C22H34N2O2/c1-21(2,3)16-12-14-18(15-13-16)24-20(26)22(4,5)19(25)23-17-10-8-6-7-9-11-17/h12-15,17H,6-11H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyJTAKPIYFQFQXND-UHFFFAOYSA-N
XLogP4.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide
CID 108958674
N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959030
N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108966089
N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108959081
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966110
N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide
CID 108966151
N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide
CID 108959064
N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959020
N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108957499
N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108957501
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide (CID 108966101) is N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide is CC(C)(C(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)NC1CCCCCC1.
What is the InChIKey of N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide?
The InChIKey is JTAKPIYFQFQXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-21(2,3)16-12-14-18(15-13-16)24-20(26)22(4,5)19(25)23-17-10-8-6-7-9-11-17/h12-15,17H,6-11H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide?
N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide has a molecular weight of 358.53 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide is sourced from PubChem (CID 108966101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).