N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide

C21H32N2O3 — CID 108964428

IUPACN-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(CCNC(=O)C(C)(C)C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C21H32N2O3/c1-21(2,20(25)23-17-8-6-4-5-7-9-17)19(24)22-15-14-16-10-12-18(26-3)13-11-16/h10-13,17H,4-9,14-15H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPUZFMERCEXSVGK-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.22
Rot. Bonds7

About N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide

N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108964428) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
PubChem CID108964428
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(CCNC(=O)C(C)(C)C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C21H32N2O3/c1-21(2,20(25)23-17-8-6-4-5-7-9-17)19(24)22-15-14-16-10-12-18(26-3)13-11-16/h10-13,17H,4-9,14-15H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPUZFMERCEXSVGK-UHFFFAOYSA-N
XLogP3.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964347
N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108958959
N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108958583
N-tert-butyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964427
N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109250312
1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 110991193
N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108964434
4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109081392
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
N-[2-(4-chlorophenyl)ethyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108965075
N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108959041
2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide
CID 2933838

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide (CID 108964428) is N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide is COc1ccc(CCNC(=O)C(C)(C)C(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is PUZFMERCEXSVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-21(2,20(25)23-17-8-6-4-5-7-9-17)19(24)22-15-14-16-10-12-18(26-3)13-11-16/h10-13,17H,4-9,14-15H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 360.50 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108964428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).