N-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide

C18H23NO2 — CID 103843738

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO2/c1-3-18(4-2,13-20)12-19-17(21)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,20H,3-4,12-13H2,1-2H3,(H,19,21)
InChIKeyUWWHGBULZKQYHY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.37
Rot. Bonds6

About N-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide

N-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide (PubChem CID 103843738) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide
PubChem CID103843738
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H23NO2/c1-3-18(4-2,13-20)12-19-17(21)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,20H,3-4,12-13H2,1-2H3,(H,19,21)
InChIKeyUWWHGBULZKQYHY-UHFFFAOYSA-N
XLogP3.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-ethylbutyl)naphthalene-2-carboxamide
CID 81485257
N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indazole-6-carboxamide
CID 106251304
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 103843199
N-propylnaphthalene-2-carboxamide
CID 6624536
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
4-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249424
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-nitrobenzamide
CID 103843606
N-[2-(chloromethyl)-2-ethylbutyl]quinoline-6-carboxamide
CID 106253497
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide
CID 103843602
N-pentylnaphthalene-2-carboxamide
CID 91722098

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide (CID 103843738) is N-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide is CCC(CC)(CO)CNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide?
The InChIKey is UWWHGBULZKQYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-18(4-2,13-20)12-19-17(21)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,20H,3-4,12-13H2,1-2H3,(H,19,21).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]naphthalene-2-carboxamide is sourced from PubChem (CID 103843738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).