N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide

C22H28N2O3 — CID 108948687

IUPACN'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
SMILESCCc1cccc(CC)c1NC(=O)CC(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C22H28N2O3/c1-4-17-9-7-10-18(5-2)22(17)24-21(26)15-20(25)23-13-12-16-8-6-11-19(14-16)27-3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyONWYILDHANSZQL-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.51
Rot. Bonds9

About N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide

N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide (PubChem CID 108948687) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
PubChem CID108948687
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
SMILESCCc1cccc(CC)c1NC(=O)CC(=O)NCCc1cccc(OC)c1
InChIInChI=1S/C22H28N2O3/c1-4-17-9-7-10-18(5-2)22(17)24-21(26)15-20(25)23-13-12-16-8-6-11-19(14-16)27-3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyONWYILDHANSZQL-UHFFFAOYSA-N
XLogP3.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.51
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'-(3,5-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948677
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948719
N'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948679
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
ethyl 2-[[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948749
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840226
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957
N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108946382
methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 47308059

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
The IUPAC name of N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide (CID 108948687) is N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide.
What is the SMILES notation for N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
The canonical SMILES for N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide is CCc1cccc(CC)c1NC(=O)CC(=O)NCCc1cccc(OC)c1.
What is the InChIKey of N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
The InChIKey is ONWYILDHANSZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-17-9-7-10-18(5-2)22(17)24-21(26)15-20(25)23-13-12-16-8-6-11-19(14-16)27-3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide?
N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide has a molecular weight of 368.48 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide is sourced from PubChem (CID 108948687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).