N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide

C19H22N2O3 — CID 108945635

IUPACN'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-24-17-9-7-16(8-10-17)21-19(23)12-18(22)20-13-15-6-4-5-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFOMQJISHCOMLBT-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.04
Rot. Bonds7

About N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide

N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide (PubChem CID 108945635) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide
PubChem CID108945635
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-24-17-9-7-16(8-10-17)21-19(23)12-18(22)20-13-15-6-4-5-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFOMQJISHCOMLBT-UHFFFAOYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.04
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-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019679
4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148110
N'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945602
N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947088
N'-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947690
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 733609
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150734
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 108884386
4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210235
N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide
CID 17191376
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(3-methylphenyl)methyl]acetamide
CID 34165656

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide (CID 108945635) is N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide is CCOc1ccc(NC(=O)CC(=O)NCc2cccc(C)c2)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide?
The InChIKey is FOMQJISHCOMLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-24-17-9-7-16(8-10-17)21-19(23)12-18(22)20-13-15-6-4-5-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide?
N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide has a molecular weight of 326.40 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108945635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).