N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide

C21H25ClN2O2 — CID 108963810

IUPACN-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
SMILESCC(C)(C(=O)NCCc1ccccc1)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-21(2,19(25)23-14-12-16-6-4-3-5-7-16)20(26)24-15-13-17-8-10-18(22)11-9-17/h3-11H,12-15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNHMDOCHHGIUWPR-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.38
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide

N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide (PubChem CID 108963810) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
PubChem CID108963810
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
SMILESCC(C)(C(=O)NCCc1ccccc1)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O2/c1-21(2,19(25)23-14-12-16-6-4-3-5-7-16)20(26)24-15-13-17-8-10-18(22)11-9-17/h3-11H,12-15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNHMDOCHHGIUWPR-UHFFFAOYSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.38
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-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965035
N-benzyl-N'-[2-(4-chlorophenyl)ethyl]-N,2,2-trimethylpropanediamide
CID 108962265
N-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide
CID 108965063
N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963911
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963909
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-prop-2-enylpropanediamide
CID 108957620
N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108965059
2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide
CID 108963827
2-hydroxy-2-methyl-N-(2-phenylethyl)propanamide
CID 71525164
N-[2-(4-chlorophenyl)ethyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108965075
4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid
CID 119168896
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea
CID 113216277

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide (CID 108963810) is N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide is CC(C)(C(=O)NCCc1ccccc1)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide?
The InChIKey is NHMDOCHHGIUWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-21(2,19(25)23-14-12-16-6-4-3-5-7-16)20(26)24-15-13-17-8-10-18(22)11-9-17/h3-11H,12-15H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide?
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide has a molecular weight of 372.90 g/mol, XLogP of 3.38, 8 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]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide is sourced from PubChem (CID 108963810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).