N-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide

C20H24N2O4 — CID 17218985

IUPACN-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)C(C)Oc2cccc(C)c2)c1
InChIInChI=1S/C20H24N2O4/c1-14-6-4-9-18(12-14)26-15(2)19(23)22-17-8-5-7-16(13-17)20(24)21-10-11-25-3/h4-9,12-13,15H,10-11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyGXQFWXPZSIWKMF-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.78
Rot. Bonds8

About N-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide

N-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide (PubChem CID 17218985) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide
PubChem CID17218985
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide
SMILESCOCCNC(=O)c1cccc(NC(=O)C(C)Oc2cccc(C)c2)c1
InChIInChI=1S/C20H24N2O4/c1-14-6-4-9-18(12-14)26-15(2)19(23)22-17-8-5-7-16(13-17)20(24)21-10-11-25-3/h4-9,12-13,15H,10-11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyGXQFWXPZSIWKMF-UHFFFAOYSA-N
XLogP2.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222669
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
CID 17218775
N-(2-methoxyethyl)-4-(2-phenoxypropanoylamino)benzamide
CID 17218253
3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877477
N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 17196958
N-(2-methoxyethyl)-4-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 17218246
N-(2-methylpropyl)-3-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 976970
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737838
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737835
3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222714

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide (CID 17218985) is N-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide is COCCNC(=O)c1cccc(NC(=O)C(C)Oc2cccc(C)c2)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide?
The InChIKey is GXQFWXPZSIWKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14-6-4-9-18(12-14)26-15(2)19(23)22-17-8-5-7-16(13-17)20(24)21-10-11-25-3/h4-9,12-13,15H,10-11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide?
N-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide has a molecular weight of 356.42 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 17218985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).