N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide

C22H28N2O2 — CID 108962022

IUPACN-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
SMILESCCc1cccc(C)c1NC(=O)C(C)(C)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C22H28N2O2/c1-6-18-9-7-8-16(3)19(18)24-21(26)22(4,5)20(25)23-14-17-12-10-15(2)11-13-17/h7-13H,6,14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyIPTNEABKSBOONK-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.15
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide

N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide (PubChem CID 108962022) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
PubChem CID108962022
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
SMILESCCc1cccc(C)c1NC(=O)C(C)(C)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C22H28N2O2/c1-6-18-9-7-8-16(3)19(18)24-21(26)22(4,5)20(25)23-14-17-12-10-15(2)11-13-17/h7-13H,6,14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyIPTNEABKSBOONK-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.15
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-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962017
N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
CID 108965978
N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962082
N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962937
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-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108961574
N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide
CID 109019985
N-(2-tert-butylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962027
N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
CID 108966096
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108968426
2,6-diethyl-N-[(4-methylphenyl)methyl]aniline
CID 63492108

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide (CID 108962022) is N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide is CCc1cccc(C)c1NC(=O)C(C)(C)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide?
The InChIKey is IPTNEABKSBOONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-6-18-9-7-8-16(3)19(18)24-21(26)22(4,5)20(25)23-14-17-12-10-15(2)11-13-17/h7-13H,6,14H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide?
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide has a molecular weight of 352.48 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108962022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).