N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide

C20H22N2O4 — CID 108948719

IUPACN'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
SMILESCOc1cccc(CCNC(=O)CC(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C20H22N2O4/c1-14(23)16-6-4-7-17(12-16)22-20(25)13-19(24)21-10-9-15-5-3-8-18(11-15)26-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyYEFSJVAAHZTIRP-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.59
Rot. Bonds8

About N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide

N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide (PubChem CID 108948719) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
PubChem CID108948719
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
SMILESCOc1cccc(CCNC(=O)CC(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C20H22N2O4/c1-14(23)16-6-4-7-17(12-16)22-20(25)13-19(24)21-10-9-15-5-3-8-18(11-15)26-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyYEFSJVAAHZTIRP-UHFFFAOYSA-N
XLogP2.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.59
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'-(3,5-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948677
N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948741
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate
CID 4999432
N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide
CID 108949835
N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948687
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948679
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
CID 108941583
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001073
N-(3-acetylphenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236828
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
The IUPAC name of N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide (CID 108948719) is N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide is COc1cccc(CCNC(=O)CC(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
The InChIKey is YEFSJVAAHZTIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14(23)16-6-4-7-17(12-16)22-20(25)13-19(24)21-10-9-15-5-3-8-18(11-15)26-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide has a molecular weight of 354.41 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide is sourced from PubChem (CID 108948719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).