[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate

C24H25NO5 — CID 29142245

IUPAC[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
SMILESCCN(C(=O)COC(=O)CCOc1ccc(OC)cc1)c1cccc2ccccc12
InChIInChI=1S/C24H25NO5/c1-3-25(22-10-6-8-18-7-4-5-9-21(18)22)23(26)17-30-24(27)15-16-29-20-13-11-19(28-2)12-14-20/h4-14H,3,15-17H2,1-2H3
InChIKeyXIEPETZBTWJWII-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.21
Rot. Bonds9

About [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate (PubChem CID 29142245) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
PubChem CID29142245
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
SMILESCCN(C(=O)COC(=O)CCOc1ccc(OC)cc1)c1cccc2ccccc12
InChIInChI=1S/C24H25NO5/c1-3-25(22-10-6-8-18-7-4-5-9-21(18)22)23(26)17-30-24(27)15-16-29-20-13-11-19(28-2)12-14-20/h4-14H,3,15-17H2,1-2H3
InChIKeyXIEPETZBTWJWII-UHFFFAOYSA-N
XLogP4.21
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2375807
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2381043
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 4832074
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 55306615
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 2394622
2-(2-ethoxyphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide
CID 112779417
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 46673253
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2476273
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2405012
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147366
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate
CID 2512971
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 55316893

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate?
The IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate (CID 29142245) is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate?
The canonical SMILES for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate is CCN(C(=O)COC(=O)CCOc1ccc(OC)cc1)c1cccc2ccccc12.
What is the InChIKey of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate?
The InChIKey is XIEPETZBTWJWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-3-25(22-10-6-8-18-7-4-5-9-21(18)22)23(26)17-30-24(27)15-16-29-20-13-11-19(28-2)12-14-20/h4-14H,3,15-17H2,1-2H3.
What are the key properties of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate?
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate has a molecular weight of 407.47 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 29142245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).