N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide

C16H19NO2 — CID 111112159

IUPACN-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO2/c1-11(2)16(19)17-10-15(18)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15,18H,10H2,1-2H3,(H,17,19)
InChIKeyHOBLBVRACAIBPH-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.65
Rot. Bonds4

About N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide

N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide (PubChem CID 111112159) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
PubChem CID111112159
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO2/c1-11(2)16(19)17-10-15(18)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15,18H,10H2,1-2H3,(H,17,19)
InChIKeyHOBLBVRACAIBPH-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methylbutanamide
CID 111112176
2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 120989475
(2R)-2-ethoxy-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]butanamide
CID 97227615
N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide
CID 95618412
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide
CID 75381510
2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide
CID 61464613
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 95618415
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide
CID 95618392
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 111112240
3-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2,2,4-trimethylpentanamide
CID 167933899
(3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid
CID 125470025

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide (CID 111112159) is N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide is CC(C)C(=O)NCC(O)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide?
The InChIKey is HOBLBVRACAIBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11(2)16(19)17-10-15(18)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15,18H,10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide?
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide has a molecular weight of 257.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide is sourced from PubChem (CID 111112159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).