N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxynaphthalene-1-carboxamide

C16H19NO3 — CID 4193970

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-methoxynaphthalene-1-carboxamide
SMILESCOc1ccc2ccccc2c1C(=O)NC(C)(C)CO
InChIInChI=1S/C16H19NO3/c1-16(2,10-18)17-15(19)14-12-7-5-4-6-11(12)8-9-13(14)20-3/h4-9,18H,10H2,1-3H3,(H,17,19)
InChIKeyITGRYKVMSJZDDO-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.35
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxynaphthalene-1-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxynaphthalene-1-carboxamide (PubChem CID 4193970) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-methoxynaphthalene-1-carboxamide
PubChem CID4193970
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-methoxynaphthalene-1-carboxamide
SMILESCOc1ccc2ccccc2c1C(=O)NC(C)(C)CO
InChIInChI=1S/C16H19NO3/c1-16(2,10-18)17-15(19)14-12-7-5-4-6-11(12)8-9-13(14)20-3/h4-9,18H,10H2,1-3H3,(H,17,19)
InChIKeyITGRYKVMSJZDDO-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxynaphthalene-1-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxynaphthalene-1-carboxamide (CID 4193970) is N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxynaphthalene-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxynaphthalene-1-carboxamide is COc1ccc2ccccc2c1C(=O)NC(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxynaphthalene-1-carboxamide?
The InChIKey is ITGRYKVMSJZDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-16(2,10-18)17-15(19)14-12-7-5-4-6-11(12)8-9-13(14)20-3/h4-9,18H,10H2,1-3H3,(H,17,19).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxynaphthalene-1-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxynaphthalene-1-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxynaphthalene-1-carboxamide is sourced from PubChem (CID 4193970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).