[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dihydroxybenzoate

C19H15NO5 — CID 2536706

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)Nc1cccc2ccccc12
InChIInChI=1S/C19H15NO5/c21-13-8-9-15(17(22)10-13)19(24)25-11-18(23)20-16-7-3-5-12-4-1-2-6-14(12)16/h1-10,21-22H,11H2,(H,20,23)
InChIKeyBWPBSMVOCQUVAP-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.05
Rot. Bonds4

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dihydroxybenzoate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dihydroxybenzoate (PubChem CID 2536706) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
PubChem CID2536706
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)Nc1cccc2ccccc12
InChIInChI=1S/C19H15NO5/c21-13-8-9-15(17(22)10-13)19(24)25-11-18(23)20-16-7-3-5-12-4-1-2-6-14(12)16/h1-10,21-22H,11H2,(H,20,23)
InChIKeyBWPBSMVOCQUVAP-UHFFFAOYSA-N
XLogP3.05
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dihydroxybenzoate (CID 2536706) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dihydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1O)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dihydroxybenzoate?
The InChIKey is BWPBSMVOCQUVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c21-13-8-9-15(17(22)10-13)19(24)25-11-18(23)20-16-7-3-5-12-4-1-2-6-14(12)16/h1-10,21-22H,11H2,(H,20,23).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dihydroxybenzoate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dihydroxybenzoate has a molecular weight of 337.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-dihydroxybenzoate is sourced from PubChem (CID 2536706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).