2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide

C23H29N3O4 — CID 8960478

IUPAC2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)COc1cccc(C)c1
InChIInChI=1S/C23H29N3O4/c1-3-25(23(28)17-30-21-6-4-5-18(2)15-21)16-22(27)24-19-7-9-20(10-8-19)26-11-13-29-14-12-26/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,24,27)
InChIKeyWZVZKPKKWQJIBM-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.70
Rot. Bonds8

About 2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 8960478) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID8960478
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)COc1cccc(C)c1
InChIInChI=1S/C23H29N3O4/c1-3-25(23(28)17-30-21-6-4-5-18(2)15-21)16-22(27)24-19-7-9-20(10-8-19)26-11-13-29-14-12-26/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,24,27)
InChIKeyWZVZKPKKWQJIBM-UHFFFAOYSA-N
XLogP2.70
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-ethyl-2-(3-methylphenoxy)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 8960446
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55342225
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4044574
N-ethyl-2-(2-fluorophenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 8960473
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55369929
N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
CID 51156379
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 27200195
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7551228
2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 6908162
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
N-(4-morpholin-4-ylphenyl)-2-[3-(2H-triazet-1-yl)phenoxy]acetamide
CID 90125237

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 8960478) is 2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)COc1cccc(C)c1.
What is the InChIKey of 2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is WZVZKPKKWQJIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-3-25(23(28)17-30-21-6-4-5-18(2)15-21)16-22(27)24-19-7-9-20(10-8-19)26-11-13-29-14-12-26/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,24,27).
What are the key properties of 2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 411.50 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 8960478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).