N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide

C21H26N2O2 — CID 108961727

IUPACN-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
SMILESCc1cc(C)cc(NC(=O)C(C)(C)C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C21H26N2O2/c1-14-10-15(2)12-18(11-14)23-20(25)21(4,5)19(24)22-13-17-9-7-6-8-16(17)3/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyVCQPTQZJPDXIEB-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.89
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide

N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide (PubChem CID 108961727) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
PubChem CID108961727
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
SMILESCc1cc(C)cc(NC(=O)C(C)(C)C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C21H26N2O2/c1-14-10-15(2)12-18(11-14)23-20(25)21(4,5)19(24)22-13-17-9-7-6-8-16(17)3/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyVCQPTQZJPDXIEB-UHFFFAOYSA-N
XLogP3.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.89
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)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967996
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961745
1-N'-(3,5-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974966
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961763
N-(3,5-dichlorophenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962505
N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108961574
N,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide
CID 108961721
N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966265
N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108960255
3-(azepan-1-yl)-2,2-dimethyl-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108961716
N-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962953
N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968044

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide (CID 108961727) is N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide is Cc1cc(C)cc(NC(=O)C(C)(C)C(=O)NCc2ccccc2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide?
The InChIKey is VCQPTQZJPDXIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-10-15(2)12-18(11-14)23-20(25)21(4,5)19(24)22-13-17-9-7-6-8-16(17)3/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide?
N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide has a molecular weight of 338.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108961727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).