N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide

C19H22N2O2 — CID 108953012

IUPACN-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
SMILESCc1cccc(NC(=O)CC(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H22N2O2/c1-12-6-5-7-16(10-12)20-17(22)11-18(23)21-19-14(3)8-13(2)9-15(19)4/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyUDQONTMWTFJLNV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.89
Rot. Bonds4

About N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide

N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide (PubChem CID 108953012) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
PubChem CID108953012
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
SMILESCc1cccc(NC(=O)CC(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H22N2O2/c1-12-6-5-7-16(10-12)20-17(22)11-18(23)21-19-14(3)8-13(2)9-15(19)4/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyUDQONTMWTFJLNV-UHFFFAOYSA-N
XLogP3.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
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-dichlorophenyl)-N-(3-methylphenyl)propanediamide
CID 108953078
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954449
2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 967041
N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 772299
N'-(3-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945423
N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide
CID 108953753
1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea
CID 108888004
N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954456
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036992
N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339495

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide?
The IUPAC name of N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide (CID 108953012) is N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide.
What is the SMILES notation for N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide?
The canonical SMILES for N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide is Cc1cccc(NC(=O)CC(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide?
The InChIKey is UDQONTMWTFJLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-12-6-5-7-16(10-12)20-17(22)11-18(23)21-19-14(3)8-13(2)9-15(19)4/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide?
N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide has a molecular weight of 310.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide is sourced from PubChem (CID 108953012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).