N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide

C19H22N2O4 — CID 108947088

IUPACN'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H22N2O4/c1-3-25-17-10-6-15(7-11-17)21-19(23)12-18(22)20-13-14-4-8-16(24-2)9-5-14/h4-11H,3,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNTRUCJMBZMNKRR-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.74
Rot. Bonds8

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

N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide (PubChem CID 108947088) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
PubChem CID108947088
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H22N2O4/c1-3-25-17-10-6-15(7-11-17)21-19(23)12-18(22)20-13-14-4-8-16(24-2)9-5-14/h4-11H,3,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNTRUCJMBZMNKRR-UHFFFAOYSA-N
XLogP2.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947082
N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108947063
N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945635
N'-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947690
1-[4-(4-ethoxyphenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 18274591
N-[(4-ethoxyphenyl)methyl]-3-oxobutanamide
CID 115176377
2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923197
2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923257
N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943357
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2194197
2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide (CID 108947088) is N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide is CCOc1ccc(NC(=O)CC(=O)NCc2ccc(OC)cc2)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide?
The InChIKey is NTRUCJMBZMNKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-25-17-10-6-15(7-11-17)21-19(23)12-18(22)20-13-14-4-8-16(24-2)9-5-14/h4-11H,3,12-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide?
N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide has a molecular weight of 342.40 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide is sourced from PubChem (CID 108947088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).