N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide

C21H25ClN2O2 — CID 108965059

IUPACN-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1ccc(NC(=O)C(C)(C)C(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-4-15-7-11-18(12-8-15)24-20(26)21(2,3)19(25)23-14-13-16-5-9-17(22)10-6-16/h5-12H,4,13-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyAUBNDIPQXQDYMU-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.23
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide

N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108965059) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108965059
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1ccc(NC(=O)C(C)(C)C(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-4-15-7-11-18(12-8-15)24-20(26)21(2,3)19(25)23-14-13-16-5-9-17(22)10-6-16/h5-12H,4,13-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyAUBNDIPQXQDYMU-UHFFFAOYSA-N
XLogP4.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.23
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-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962820
N-[2-(4-chlorophenyl)ethyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108965075
N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108957863
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964083
N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966385
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-prop-2-enylpropanediamide
CID 108957620
N-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide
CID 108965063
N-(3,4-difluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964253
N-(4-chlorophenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108959378
N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963911
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965035

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide (CID 108965059) is N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide is CCc1ccc(NC(=O)C(C)(C)C(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is AUBNDIPQXQDYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-4-15-7-11-18(12-8-15)24-20(26)21(2,3)19(25)23-14-13-16-5-9-17(22)10-6-16/h5-12H,4,13-14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide?
N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 372.90 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108965059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).