N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide

C19H22N2O3 — CID 108947053

IUPACN'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
SMILESCOc1ccc(CNC(=O)CC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O3/c1-13-4-5-14(2)17(10-13)21-19(23)11-18(22)20-12-15-6-8-16(24-3)9-7-15/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyLRDKLHCJOYEOOI-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.96
Rot. Bonds6

About N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide

N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide (PubChem CID 108947053) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
PubChem CID108947053
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
SMILESCOc1ccc(CNC(=O)CC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O3/c1-13-4-5-14(2)17(10-13)21-19(23)11-18(22)20-12-15-6-8-16(24-3)9-7-15/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyLRDKLHCJOYEOOI-UHFFFAOYSA-N
XLogP2.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 3114031
N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022472
(3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide
CID 7315903
3-(2-methoxy-5-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 47877777
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 916544
1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 23762285
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24604643
N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946767
N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947071
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997174
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997079

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide?
The IUPAC name of N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide (CID 108947053) is N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide?
The canonical SMILES for N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide is COc1ccc(CNC(=O)CC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide?
The InChIKey is LRDKLHCJOYEOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-4-5-14(2)17(10-13)21-19(23)11-18(22)20-12-15-6-8-16(24-3)9-7-15/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide?
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide has a molecular weight of 326.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide is sourced from PubChem (CID 108947053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).