N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide

C21H25ClN2O3 — CID 108964304

IUPACN-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1ccccc1CCNC(=O)C(C)(C)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C21H25ClN2O3/c1-14-9-10-16(22)13-17(14)24-20(26)21(2,3)19(25)23-12-11-15-7-5-6-8-18(15)27-4/h5-10,13H,11-12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeySQPUEGDSUKOLRW-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.98
Rot. Bonds7

About N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide

N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108964304) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
PubChem CID108964304
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1ccccc1CCNC(=O)C(C)(C)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C21H25ClN2O3/c1-14-9-10-16(22)13-17(14)24-20(26)21(2,3)19(25)23-12-11-15-7-5-6-8-18(15)27-4/h5-10,13H,11-12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeySQPUEGDSUKOLRW-UHFFFAOYSA-N
XLogP3.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.98
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-(5-chloro-2-methoxyphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962957
N-(5-chloro-2-methylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964386
N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966968
N-(4-chloro-2-methylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964098
N-butyl-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108957803
3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025290
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963914
N'-(5-chloro-2-methylphenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968853
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108965012
N-[2-(4-fluorophenyl)ethyl]-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964149
N-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962953

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide (CID 108964304) is N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide is COc1ccccc1CCNC(=O)C(C)(C)C(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is SQPUEGDSUKOLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-14-9-10-16(22)13-17(14)24-20(26)21(2,3)19(25)23-12-11-15-7-5-6-8-18(15)27-4/h5-10,13H,11-12H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 388.90 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108964304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).