methyl 4-hydroxy-6-(2-methylpropanoylamino)naphthalene-2-carboxylate

C16H17NO4 — CID 163232859

IUPACmethyl 4-hydroxy-6-(2-methylpropanoylamino)naphthalene-2-carboxylate
SMILESCOC(=O)c1cc(O)c2cc(NC(=O)C(C)C)ccc2c1
InChIInChI=1S/C16H17NO4/c1-9(2)15(19)17-12-5-4-10-6-11(16(20)21-3)7-14(18)13(10)8-12/h4-9,18H,1-3H3,(H,17,19)
InChIKeyFHKAEFYIAGTJJT-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.93
Rot. Bonds3

About methyl 4-hydroxy-6-(2-methylpropanoylamino)naphthalene-2-carboxylate

methyl 4-hydroxy-6-(2-methylpropanoylamino)naphthalene-2-carboxylate (PubChem CID 163232859) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 4-hydroxy-6-(2-methylpropanoylamino)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-6-(2-methylpropanoylamino)naphthalene-2-carboxylate
PubChem CID163232859
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Namemethyl 4-hydroxy-6-(2-methylpropanoylamino)naphthalene-2-carboxylate
SMILESCOC(=O)c1cc(O)c2cc(NC(=O)C(C)C)ccc2c1
InChIInChI=1S/C16H17NO4/c1-9(2)15(19)17-12-5-4-10-6-11(16(20)21-3)7-14(18)13(10)8-12/h4-9,18H,1-3H3,(H,17,19)
InChIKeyFHKAEFYIAGTJJT-UHFFFAOYSA-N
XLogP2.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide
CID 163233006
methyl 3-hydroxy-7-(2-methylpropanoylamino)naphthalene-1-carboxylate
CID 163233058
methyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate
CID 82372367
methyl 7-(2-methylpropanoylamino)naphthalene-1-carboxylate
CID 163232905
methyl 4-hydroxy-6-propylnaphthalene-2-carboxylate
CID 170047349
methyl 3-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamoyl]benzoate
CID 17175464
dimethyl 5-[[3-[3,5-bis(methoxycarbonyl)anilino]-2-methyl-3-oxopropanoyl]amino]benzene-1,3-dicarboxylate
CID 71122038
N-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide
CID 121216988
methyl 3-(2-cyclopropylpropanoylamino)benzoate
CID 79506267
methyl 3-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]-5-nitrobenzoate
CID 46412308
ethyl 6-chloro-4-hydroxynaphthalene-2-carboxylate
CID 73013854
methyl 4-[[(2S)-2-methylbutanoyl]amino]benzoate
CID 838061

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-6-(2-methylpropanoylamino)naphthalene-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-6-(2-methylpropanoylamino)naphthalene-2-carboxylate (CID 163232859) is methyl 4-hydroxy-6-(2-methylpropanoylamino)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-6-(2-methylpropanoylamino)naphthalene-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-6-(2-methylpropanoylamino)naphthalene-2-carboxylate is COC(=O)c1cc(O)c2cc(NC(=O)C(C)C)ccc2c1.
What is the InChIKey of methyl 4-hydroxy-6-(2-methylpropanoylamino)naphthalene-2-carboxylate?
The InChIKey is FHKAEFYIAGTJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-9(2)15(19)17-12-5-4-10-6-11(16(20)21-3)7-14(18)13(10)8-12/h4-9,18H,1-3H3,(H,17,19).
What are the key properties of methyl 4-hydroxy-6-(2-methylpropanoylamino)naphthalene-2-carboxylate?
methyl 4-hydroxy-6-(2-methylpropanoylamino)naphthalene-2-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-6-(2-methylpropanoylamino)naphthalene-2-carboxylate is sourced from PubChem (CID 163232859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).