N-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide

C20H23ClN2O3 — CID 108962953

IUPACN-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
SMILESCOc1ccccc1CNC(=O)C(C)(C)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C20H23ClN2O3/c1-13-9-10-15(11-16(13)21)23-19(25)20(2,3)18(24)22-12-14-7-5-6-8-17(14)26-4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyPQTYYUGXXYTWJE-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.94
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide

N-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide (PubChem CID 108962953) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
PubChem CID108962953
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
SMILESCOc1ccccc1CNC(=O)C(C)(C)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C20H23ClN2O3/c1-13-9-10-15(11-16(13)21)23-19(25)20(2,3)18(24)22-12-14-7-5-6-8-17(14)26-4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyPQTYYUGXXYTWJE-UHFFFAOYSA-N
XLogP3.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.94
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-(3,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962989
N-(3-chloro-4-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963073
N-(1,3-benzodioxol-5-yl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962983
N-(5-chloro-2-methoxyphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962957
N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962937
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
N-(3-chloro-4-methylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964469
N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965837
N-(2,4-dimethoxyphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962967
N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964304
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)acetamide
CID 9080460
1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide (CID 108962953) is N-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide is COc1ccccc1CNC(=O)C(C)(C)C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
The InChIKey is PQTYYUGXXYTWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-13-9-10-15(11-16(13)21)23-19(25)20(2,3)18(24)22-12-14-7-5-6-8-17(14)26-4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
N-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide has a molecular weight of 374.87 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108962953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).