N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide

C22H28N2O3 — CID 108962937

IUPACN-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
SMILESCCc1cccc(C)c1NC(=O)C(C)(C)C(=O)NCc1ccccc1OC
InChIInChI=1S/C22H28N2O3/c1-6-16-12-9-10-15(2)19(16)24-21(26)22(3,4)20(25)23-14-17-11-7-8-13-18(17)27-5/h7-13H,6,14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyGFDHICOMGMFHKY-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.85
Rot. Bonds7

About N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide

N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide (PubChem CID 108962937) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
PubChem CID108962937
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
SMILESCCc1cccc(C)c1NC(=O)C(C)(C)C(=O)NCc1ccccc1OC
InChIInChI=1S/C22H28N2O3/c1-6-16-12-9-10-15(2)19(16)24-21(26)22(3,4)20(25)23-14-17-11-7-8-13-18(17)27-5/h7-13H,6,14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyGFDHICOMGMFHKY-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.85
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-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962022
3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022011
N-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962953
N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
CID 108965978
3-(2-ethyl-6-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82814205
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966271
N-(2,4-dimethoxyphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962967
N-(5-chloro-2-methoxyphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962957
N-(3,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962989
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide
CID 108948559
methyl 3-[[3-(2-ethyl-6-methylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108968411
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961763

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide (CID 108962937) is N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide is CCc1cccc(C)c1NC(=O)C(C)(C)C(=O)NCc1ccccc1OC.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
The InChIKey is GFDHICOMGMFHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-6-16-12-9-10-15(2)19(16)24-21(26)22(3,4)20(25)23-14-17-11-7-8-13-18(17)27-5/h7-13H,6,14H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide has a molecular weight of 368.48 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108962937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).