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

C19H22N2O2 — CID 108945602

IUPACN'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
SMILESCc1cccc(CNC(=O)CC(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H22N2O2/c1-13-5-4-6-16(8-13)12-20-18(22)11-19(23)21-17-9-14(2)7-15(3)10-17/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeySAFHEFYNLDAXBO-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.26
Rot. Bonds5

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

N'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide (PubChem CID 108945602) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
PubChem CID108945602
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
SMILESCc1cccc(CNC(=O)CC(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H22N2O2/c1-13-5-4-6-16(8-13)12-20-18(22)11-19(23)21-17-9-14(2)7-15(3)10-17/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeySAFHEFYNLDAXBO-UHFFFAOYSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.26
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-benzyl-N'-(3,5-dimethylphenyl)propanediamide
CID 50949014
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
N'-(2-bromo-4-methylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945667
N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945635
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945626
N'-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945616
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
N-[(3-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945642
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(3-methylphenyl)methyl]acetamide
CID 34165656
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide (CID 108945602) is N'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide is Cc1cccc(CNC(=O)CC(=O)Nc2cc(C)cc(C)c2)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide?
The InChIKey is SAFHEFYNLDAXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-5-4-6-16(8-13)12-20-18(22)11-19(23)21-17-9-14(2)7-15(3)10-17/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide?
N'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide has a molecular weight of 310.40 g/mol, XLogP of 3.26, 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)-N-[(3-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108945602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).