[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

C23H17NO4 — CID 7891494

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2cc1O)Nc1cccc2ccccc12
InChIInChI=1S/C23H17NO4/c25-21-13-17-8-2-1-7-16(17)12-19(21)23(27)28-14-22(26)24-20-11-5-9-15-6-3-4-10-18(15)20/h1-13,25H,14H2,(H,24,26)
InChIKeyLVRLIUKYPPATLN-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.49
Rot. Bonds4

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (PubChem CID 7891494) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
PubChem CID7891494
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2cc1O)Nc1cccc2ccccc12
InChIInChI=1S/C23H17NO4/c25-21-13-17-8-2-1-7-16(17)12-19(21)23(27)28-14-22(26)24-20-11-5-9-15-6-3-4-10-18(15)20/h1-13,25H,14H2,(H,24,26)
InChIKeyLVRLIUKYPPATLN-UHFFFAOYSA-N
XLogP4.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate
CID 23940957
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 4803886
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7812297
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7468253
[2-(2-cyanoanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7812305
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate
CID 4257120
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555012
[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619913
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891384
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
CID 2352930
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2098297
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799825

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (CID 7891494) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is O=C(COC(=O)c1cc2ccccc2cc1O)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is LVRLIUKYPPATLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c25-21-13-17-8-2-1-7-16(17)12-19(21)23(27)28-14-22(26)24-20-11-5-9-15-6-3-4-10-18(15)20/h1-13,25H,14H2,(H,24,26).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 7891494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).