1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide

C16H17NO3 — CID 104578704

IUPAC1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide
SMILESCOC1CC(NC(=O)c2ccc3ccccc3c2O)C1
InChIInChI=1S/C16H17NO3/c1-20-12-8-11(9-12)17-16(19)14-7-6-10-4-2-3-5-13(10)15(14)18/h2-7,11-12,18H,8-9H2,1H3,(H,17,19)
InChIKeyCJLVXNPGTYRWLZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.45
Rot. Bonds3

About 1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide

1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide (PubChem CID 104578704) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide
PubChem CID104578704
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide
SMILESCOC1CC(NC(=O)c2ccc3ccccc3c2O)C1
InChIInChI=1S/C16H17NO3/c1-20-12-8-11(9-12)17-16(19)14-7-6-10-4-2-3-5-13(10)15(14)18/h2-7,11-12,18H,8-9H2,1H3,(H,17,19)
InChIKeyCJLVXNPGTYRWLZ-UHFFFAOYSA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-N-(3-methylcyclobutyl)naphthalene-2-carboxamide
CID 115671062
N-cyclopent-3-en-1-yl-1-hydroxynaphthalene-2-carboxamide
CID 115696816
1-hydroxy-N-(2-methylcyclopropyl)naphthalene-2-carboxamide
CID 62408035
1-hydroxy-N-(2-methoxycyclopentyl)naphthalene-2-carboxamide
CID 62086836
2-iodo-N-(3-methoxycyclobutyl)benzamide
CID 104578374
2-[1-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol
CID 104584465
methyl (2S,4R)-1-[(4-fluorophenyl)methyl]-4-[(1-hydroxynaphthalene-2-carbonyl)amino]pyrrolidine-2-carboxylate
CID 118757893
1-hydroxy-N-(2-hydroxycyclohexyl)naphthalene-2-carboxamide
CID 62365090
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide
CID 104600964
N-(2-acetamidophenyl)-1-hydroxynaphthalene-2-carboxamide
CID 5133649
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride
CID 174494917

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide (CID 104578704) is 1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide is COC1CC(NC(=O)c2ccc3ccccc3c2O)C1.
What is the InChIKey of 1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide?
The InChIKey is CJLVXNPGTYRWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-20-12-8-11(9-12)17-16(19)14-7-6-10-4-2-3-5-13(10)15(14)18/h2-7,11-12,18H,8-9H2,1H3,(H,17,19).
What are the key properties of 1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide?
1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide is sourced from PubChem (CID 104578704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).