N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide

C16H19NO3 — CID 111112240

IUPACN-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
SMILESCOCCC(=O)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO3/c1-20-9-8-16(19)17-11-15(18)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15,18H,8-9,11H2,1H3,(H,17,19)
InChIKeyBRTFOOUGMCWRSL-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.03
Rot. Bonds6

About N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide

N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide (PubChem CID 111112240) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
PubChem CID111112240
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
SMILESCOCCC(=O)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO3/c1-20-9-8-16(19)17-11-15(18)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15,18H,8-9,11H2,1H3,(H,17,19)
InChIKeyBRTFOOUGMCWRSL-UHFFFAOYSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide
CID 95618412
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea
CID 95190317
2-(2-methoxyethoxyamino)-1-naphthalen-2-ylethanol
CID 82723004
2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 120989475
N-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylsulfanylbutanamide
CID 111434804
2-(2-methoxyethylamino)-1-naphthalen-2-ylethanol
CID 60903871
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol
CID 60900061
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 111115615
2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol
CID 60969599

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide (CID 111112240) is N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide is COCCC(=O)NCC(O)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide?
The InChIKey is BRTFOOUGMCWRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-20-9-8-16(19)17-11-15(18)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15,18H,8-9,11H2,1H3,(H,17,19).
What are the key properties of N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide?
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide has a molecular weight of 273.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide is sourced from PubChem (CID 111112240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).