N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide

C21H32N2O2 — CID 108966096

IUPACN-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1cccc(C)c1NC(=O)C(C)(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C21H32N2O2/c1-5-16-12-10-11-15(2)18(16)23-20(25)21(3,4)19(24)22-17-13-8-6-7-9-14-17/h10-12,17H,5-9,13-14H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyNVAXRPJOSZVHIG-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.36
Rot. Bonds5

About N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide

N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108966096) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
PubChem CID108966096
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1cccc(C)c1NC(=O)C(C)(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C21H32N2O2/c1-5-16-12-10-11-15(2)18(16)23-20(25)21(3,4)19(24)22-17-13-8-6-7-9-14-17/h10-12,17H,5-9,13-14H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyNVAXRPJOSZVHIG-UHFFFAOYSA-N
XLogP4.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.36
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

1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
CID 108965978
1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145846
3-(2-ethyl-6-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82814205
3-cyclohexyl-4-(2-ethyl-6-methylanilino)-3-methyl-4-oxobutanoic acid
CID 119107584
6-N-cyclopentyl-2-N-(2-ethyl-6-methylphenyl)pyridine-2,6-dicarboxamide
CID 109095024
N-cyclopentyl-2-ethyl-6-methylaniline
CID 60924694
N-cycloheptyl-N'-(2,6-diethylphenyl)propanediamide
CID 108951577
N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108966089
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966271
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962022

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide (CID 108966096) is N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide is CCc1cccc(C)c1NC(=O)C(C)(C)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is NVAXRPJOSZVHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-5-16-12-10-11-15(2)18(16)23-20(25)21(3,4)19(24)22-17-13-8-6-7-9-14-17/h10-12,17H,5-9,13-14H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide?
N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 344.50 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108966096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).