N-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide

C14H15NO3 — CID 163233006

IUPACN-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2cc(O)cc(O)c2c1
InChIInChI=1S/C14H15NO3/c1-8(2)14(18)15-10-4-3-9-5-11(16)7-13(17)12(9)6-10/h3-8,16-17H,1-2H3,(H,15,18)
InChIKeyJWEKXJMFAGVCKE-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.85
Rot. Bonds2

About N-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide

N-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide (PubChem CID 163233006) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide
PubChem CID163233006
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2cc(O)cc(O)c2c1
InChIInChI=1S/C14H15NO3/c1-8(2)14(18)15-10-4-3-9-5-11(16)7-13(17)12(9)6-10/h3-8,16-17H,1-2H3,(H,15,18)
InChIKeyJWEKXJMFAGVCKE-UHFFFAOYSA-N
XLogP2.85
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-hydroxy-6-(2-methylpropanoylamino)naphthalene-2-carboxylate
CID 163232859
methyl 3-hydroxy-7-(2-methylpropanoylamino)naphthalene-1-carboxylate
CID 163233058
N-(3-formyl-4-hydroxyphenyl)-2-methylpropanamide
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methyl 7-(2-methylpropanoylamino)naphthalene-1-carboxylate
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N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide
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N-(6-hydroxynaphthalen-1-yl)-2-methylpropanamide
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2-methyl-N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanamide
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6-acetamido-4-hydroxynaphthalene-2-sulfinic acid
CID 57237886
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
trifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide
CID 75176087
2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
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CID 17188207

Frequently Asked Questions

What is the IUPAC name of N-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide?
The IUPAC name of N-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide (CID 163233006) is N-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc2cc(O)cc(O)c2c1.
What is the InChIKey of N-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide?
The InChIKey is JWEKXJMFAGVCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8(2)14(18)15-10-4-3-9-5-11(16)7-13(17)12(9)6-10/h3-8,16-17H,1-2H3,(H,15,18).
What are the key properties of N-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide?
N-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide has a molecular weight of 245.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dihydroxynaphthalen-2-yl)-2-methylpropanamide is sourced from PubChem (CID 163233006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).