3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide

C16H19NO2 — CID 43403898

IUPAC3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C16H19NO2/c1-4-16(2,3)17-15(19)13-9-11-7-5-6-8-12(11)10-14(13)18/h5-10,18H,4H2,1-3H3,(H,17,19)
InChIKeyYZUWKFLTIPWSQX-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.46
Rot. Bonds3

About 3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide

3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide (PubChem CID 43403898) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide
PubChem CID43403898
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C16H19NO2/c1-4-16(2,3)17-15(19)13-9-11-7-5-6-8-12(11)10-14(13)18/h5-10,18H,4H2,1-3H3,(H,17,19)
InChIKeyYZUWKFLTIPWSQX-UHFFFAOYSA-N
XLogP3.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 61166883
2-bromo-N-(2-methylbutan-2-yl)benzamide
CID 24700588
3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide
CID 115665358
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 61209365
N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 40623926
2-(2-methylbutan-2-ylcarbamoyl)benzenesulfonic acid
CID 89214809
3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117
3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid
CID 160733684
3-hydroxy-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 81443662
2-(ethylamino)-N-(2-methylbutan-2-yl)quinoline-4-carboxamide
CID 62173209
3-hydroxy-N-(2-methylsulfanylethyl)naphthalene-2-carboxamide
CID 60629996
2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 54943331

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide (CID 43403898) is 3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide is CCC(C)(C)NC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide?
The InChIKey is YZUWKFLTIPWSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-4-16(2,3)17-15(19)13-9-11-7-5-6-8-12(11)10-14(13)18/h5-10,18H,4H2,1-3H3,(H,17,19).
What are the key properties of 3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide?
3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 43403898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).