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

C20H24N2O3 — CID 108948679

IUPACN'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
SMILESCOc1cccc(CCNC(=O)CC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C20H24N2O3/c1-14-6-4-9-18(15(14)2)22-20(24)13-19(23)21-11-10-16-7-5-8-17(12-16)25-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyNMKCGUXMRHYZMZ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.00
Rot. Bonds7

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

N'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide (PubChem CID 108948679) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
PubChem CID108948679
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
SMILESCOc1cccc(CCNC(=O)CC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C20H24N2O3/c1-14-6-4-9-18(15(14)2)22-20(24)13-19(23)21-11-10-16-7-5-8-17(12-16)25-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyNMKCGUXMRHYZMZ-UHFFFAOYSA-N
XLogP3.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.00
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-(2,3-dimethylphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000898
ethyl 2-[[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948749
N'-(3,5-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948677
N-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide
CID 108948737
N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948687
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948719
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792790
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
CID 108941583
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948741
2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260348

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
The IUPAC name of N'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide (CID 108948679) is N'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide.
What is the SMILES notation for N'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
The canonical SMILES for N'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide is COc1cccc(CCNC(=O)CC(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of N'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
The InChIKey is NMKCGUXMRHYZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-6-4-9-18(15(14)2)22-20(24)13-19(23)21-11-10-16-7-5-8-17(12-16)25-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
N'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide has a molecular weight of 340.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide is sourced from PubChem (CID 108948679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).