methyl 8-acetamido-4-hydroxynaphthalene-2-carboxylate

C14H13NO4 — CID 163233043

IUPACmethyl 8-acetamido-4-hydroxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(O)c2cccc(NC(C)=O)c2c1
InChIInChI=1S/C14H13NO4/c1-8(16)15-12-5-3-4-10-11(12)6-9(7-13(10)17)14(18)19-2/h3-7,17H,1-2H3,(H,15,16)
InChIKeyIYTZMVKNHDEVPL-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.29
Rot. Bonds2

About methyl 8-acetamido-4-hydroxynaphthalene-2-carboxylate

methyl 8-acetamido-4-hydroxynaphthalene-2-carboxylate (PubChem CID 163233043) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is methyl 8-acetamido-4-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-acetamido-4-hydroxynaphthalene-2-carboxylate
PubChem CID163233043
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Namemethyl 8-acetamido-4-hydroxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(O)c2cccc(NC(C)=O)c2c1
InChIInChI=1S/C14H13NO4/c1-8(16)15-12-5-3-4-10-11(12)6-9(7-13(10)17)14(18)19-2/h3-7,17H,1-2H3,(H,15,16)
InChIKeyIYTZMVKNHDEVPL-UHFFFAOYSA-N
XLogP2.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide
CID 163233093
dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
CID 11790883
N-(5-sulfamoylnaphthalen-1-yl)acetamide
CID 3403698
methyl 1-hydroxy-9-methylcarbazole-3-carboxylate
CID 21192144
methyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate
CID 10040701
dimethyl 4-acetamidobenzene-1,3-dicarboxylate
CID 2802943
methyl 4-hydrazinyl-3-hydroxybenzoate
CID 70230568
4-hydroxy-8-methoxynaphthalene-2-carboxylic acid
CID 58932978
methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate
CID 17175145
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667
dimethyl 5-acetamidobenzene-1,3-dicarboxylate
CID 610627
N-(3-acetylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509256

Frequently Asked Questions

What is the IUPAC name of methyl 8-acetamido-4-hydroxynaphthalene-2-carboxylate?
The IUPAC name of methyl 8-acetamido-4-hydroxynaphthalene-2-carboxylate (CID 163233043) is methyl 8-acetamido-4-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-acetamido-4-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 8-acetamido-4-hydroxynaphthalene-2-carboxylate is COC(=O)c1cc(O)c2cccc(NC(C)=O)c2c1.
What is the InChIKey of methyl 8-acetamido-4-hydroxynaphthalene-2-carboxylate?
The InChIKey is IYTZMVKNHDEVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-8(16)15-12-5-3-4-10-11(12)6-9(7-13(10)17)14(18)19-2/h3-7,17H,1-2H3,(H,15,16).
What are the key properties of methyl 8-acetamido-4-hydroxynaphthalene-2-carboxylate?
methyl 8-acetamido-4-hydroxynaphthalene-2-carboxylate has a molecular weight of 259.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-acetamido-4-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 163233043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).