2-[4-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethylamino]methyl]-2-ethoxyphenoxy]-N-phenylacetamide

C24H29N3O4 — CID 71908285

IUPAC2-[4-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethylamino]methyl]-2-ethoxyphenoxy]-N-phenylacetamide
SMILESCCOc1cc(CNCCc2nc(C)oc2C)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H29N3O4/c1-4-29-23-14-19(15-25-13-12-21-17(2)31-18(3)26-21)10-11-22(23)30-16-24(28)27-20-8-6-5-7-9-20/h5-11,14,25H,4,12-13,15-16H2,1-3H3,(H,27,28)
InChIKeyFUTWILJCFYFPKB-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.04
Rot. Bonds11

About 2-[4-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethylamino]methyl]-2-ethoxyphenoxy]-N-phenylacetamide

2-[4-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethylamino]methyl]-2-ethoxyphenoxy]-N-phenylacetamide (PubChem CID 71908285) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-[4-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethylamino]methyl]-2-ethoxyphenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethylamino]methyl]-2-ethoxyphenoxy]-N-phenylacetamide
PubChem CID71908285
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name2-[4-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethylamino]methyl]-2-ethoxyphenoxy]-N-phenylacetamide
SMILESCCOc1cc(CNCCc2nc(C)oc2C)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H29N3O4/c1-4-29-23-14-19(15-25-13-12-21-17(2)31-18(3)26-21)10-11-22(23)30-16-24(28)27-20-8-6-5-7-9-20/h5-11,14,25H,4,12-13,15-16H2,1-3H3,(H,27,28)
InChIKeyFUTWILJCFYFPKB-UHFFFAOYSA-N
XLogP4.04
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 30610439
2-[2-ethoxy-4-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 30614052
2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
CID 66528287
2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 2959909
2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 60590256
2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 2983903
2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide
CID 47008244
2-[2-ethoxy-4-(methylaminomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 19589313
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 126384345
2-[4-[(4-acetamidoanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539076
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 2982194

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethylamino]methyl]-2-ethoxyphenoxy]-N-phenylacetamide?
The IUPAC name of 2-[4-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethylamino]methyl]-2-ethoxyphenoxy]-N-phenylacetamide (CID 71908285) is 2-[4-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethylamino]methyl]-2-ethoxyphenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethylamino]methyl]-2-ethoxyphenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[4-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethylamino]methyl]-2-ethoxyphenoxy]-N-phenylacetamide is CCOc1cc(CNCCc2nc(C)oc2C)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[4-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethylamino]methyl]-2-ethoxyphenoxy]-N-phenylacetamide?
The InChIKey is FUTWILJCFYFPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-4-29-23-14-19(15-25-13-12-21-17(2)31-18(3)26-21)10-11-22(23)30-16-24(28)27-20-8-6-5-7-9-20/h5-11,14,25H,4,12-13,15-16H2,1-3H3,(H,27,28).
What are the key properties of 2-[4-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethylamino]methyl]-2-ethoxyphenoxy]-N-phenylacetamide?
2-[4-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethylamino]methyl]-2-ethoxyphenoxy]-N-phenylacetamide has a molecular weight of 423.51 g/mol, XLogP of 4.04, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethylamino]methyl]-2-ethoxyphenoxy]-N-phenylacetamide is sourced from PubChem (CID 71908285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).