[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate

C22H19NO5 — CID 7903061

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)OCC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C22H19NO5/c1-15(24)17-8-4-9-18(12-17)27-14-22(26)28-13-21(25)23-20-11-5-7-16-6-2-3-10-19(16)20/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeySXZUMPIGCWWYAC-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.60
Rot. Bonds7

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate (PubChem CID 7903061) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
PubChem CID7903061
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)OCC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C22H19NO5/c1-15(24)17-8-4-9-18(12-17)27-14-22(26)28-13-21(25)23-20-11-5-7-16-6-2-3-10-19(16)20/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeySXZUMPIGCWWYAC-UHFFFAOYSA-N
XLogP3.60
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7902950
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8526175
[2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8526262
4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
CID 60621848
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139426
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
CID 2352930
[2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8007912
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317702
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903034
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(3-acetylphenoxy)acetate
CID 7903100
[2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843327
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147366

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate (CID 7903061) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate is CC(=O)c1cccc(OCC(=O)OCC(=O)Nc2cccc3ccccc23)c1.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The InChIKey is SXZUMPIGCWWYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-15(24)17-8-4-9-18(12-17)27-14-22(26)28-13-21(25)23-20-11-5-7-16-6-2-3-10-19(16)20/h2-12H,13-14H2,1H3,(H,23,25).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate has a molecular weight of 377.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate is sourced from PubChem (CID 7903061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).