N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide

C18H20N2O2 — CID 108945423

IUPACN'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
SMILESCc1cccc(NC(=O)CC(=O)NCc2ccccc2C)c1
InChIInChI=1S/C18H20N2O2/c1-13-6-5-9-16(10-13)20-18(22)11-17(21)19-12-15-8-4-3-7-14(15)2/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNQOAQIUZZXYPJQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.95
Rot. Bonds5

About N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide

N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide (PubChem CID 108945423) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
PubChem CID108945423
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
SMILESCc1cccc(NC(=O)CC(=O)NCc2ccccc2C)c1
InChIInChI=1S/C18H20N2O2/c1-13-6-5-9-16(10-13)20-18(22)11-17(21)19-12-15-8-4-3-7-14(15)2/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNQOAQIUZZXYPJQ-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.95
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'-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945493
1-N'-(3-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974958
N'-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945444
N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945437
N'-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945452
N-(3-bromophenyl)-2-(2-methylphenyl)acetamide
CID 24705879
N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108953012
N'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945602
N'-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945445
N-[3-[(2-methylphenyl)methylamino]phenyl]propanamide
CID 28661897
N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide
CID 108946594
N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946963

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide?
The IUPAC name of N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide (CID 108945423) is N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide?
The canonical SMILES for N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide is Cc1cccc(NC(=O)CC(=O)NCc2ccccc2C)c1.
What is the InChIKey of N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide?
The InChIKey is NQOAQIUZZXYPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-6-5-9-16(10-13)20-18(22)11-17(21)19-12-15-8-4-3-7-14(15)2/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide?
N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide has a molecular weight of 296.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108945423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).