2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C24H31N3O5 — CID 55342225

IUPAC2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCOc1ccccc1OCC(=O)N(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H31N3O5/c1-3-26(24(29)18-32-22-8-6-5-7-21(22)31-4-2)17-23(28)25-19-9-11-20(12-10-19)27-13-15-30-16-14-27/h5-12H,3-4,13-18H2,1-2H3,(H,25,28)
InChIKeyDPLNKRVABJNYJK-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.79
Rot. Bonds10

About 2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 55342225) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID55342225
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCOc1ccccc1OCC(=O)N(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H31N3O5/c1-3-26(24(29)18-32-22-8-6-5-7-21(22)31-4-2)17-23(28)25-19-9-11-20(12-10-19)27-13-15-30-16-14-27/h5-12H,3-4,13-18H2,1-2H3,(H,25,28)
InChIKeyDPLNKRVABJNYJK-UHFFFAOYSA-N
XLogP2.79
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4044574
2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8960478
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592828
N-ethyl-2-(2-fluorophenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 8960473
N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
CID 51156379
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 51156383
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
CID 9409440
2-[ethyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55369929
N-(4-morpholin-4-ylphenyl)-2-(2-propanoylphenoxy)acetamide
CID 2467189
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 84566682
N-ethyl-2-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 51331192

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 55342225) is 2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide is CCOc1ccccc1OCC(=O)N(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is DPLNKRVABJNYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-3-26(24(29)18-32-22-8-6-5-7-21(22)31-4-2)17-23(28)25-19-9-11-20(12-10-19)27-13-15-30-16-14-27/h5-12H,3-4,13-18H2,1-2H3,(H,25,28).
What are the key properties of 2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 441.53 g/mol, XLogP of 2.79, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 55342225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).