N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide

C22H28N2O4 — CID 108965903

IUPACN-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(OCCNC(=O)C(C)(C)C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H28N2O4/c1-15-6-7-17(14-16(15)2)24-21(26)22(3,4)20(25)23-12-13-28-19-10-8-18(27-5)9-11-19/h6-11,14H,12-13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyMYNOZQLIILMEPX-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.47
Rot. Bonds8

About N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide

N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108965903) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide
PubChem CID108965903
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(OCCNC(=O)C(C)(C)C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H28N2O4/c1-15-6-7-17(14-16(15)2)24-21(26)22(3,4)20(25)23-12-13-28-19-10-8-18(27-5)9-11-19/h6-11,14H,12-13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyMYNOZQLIILMEPX-UHFFFAOYSA-N
XLogP3.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide
CID 108965915
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928
N-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967959
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
N-(3-chloro-4-methylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964469
N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959594
N-(3-chloro-4-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963073
1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112974155
1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990571
N-(3,4-dimethylphenyl)-2,2-dimethyl-N'-prop-2-enylpropanediamide
CID 108957663
N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239213
N-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108968533

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide (CID 108965903) is N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide is COc1ccc(OCCNC(=O)C(C)(C)C(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is MYNOZQLIILMEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15-6-7-17(14-16(15)2)24-21(26)22(3,4)20(25)23-12-13-28-19-10-8-18(27-5)9-11-19/h6-11,14H,12-13H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide?
N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 384.48 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108965903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).