N-(2-hydroxyethyl)-2-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

C14H19NO3 — CID 79423477

IUPACN-(2-hydroxyethyl)-2-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(CC1CCc2ccccc2C1O)NCCO
InChIInChI=1S/C14H19NO3/c16-8-7-15-13(17)9-11-6-5-10-3-1-2-4-12(10)14(11)18/h1-4,11,14,16,18H,5-9H2,(H,15,17)
InChIKeyUTQFMKVJSRTQLQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.78
Rot. Bonds4

About N-(2-hydroxyethyl)-2-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

N-(2-hydroxyethyl)-2-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 79423477) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
PubChem CID79423477
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(2-hydroxyethyl)-2-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(CC1CCc2ccccc2C1O)NCCO
InChIInChI=1S/C14H19NO3/c16-8-7-15-13(17)9-11-6-5-10-3-1-2-4-12(10)14(11)18/h1-4,11,14,16,18H,5-9H2,(H,15,17)
InChIKeyUTQFMKVJSRTQLQ-UHFFFAOYSA-N
XLogP0.78
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311
ethane;2-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337942
4-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]butanoic acid
CID 119170863
1-(2-hydroxyethylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 13110177
6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79422801
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
(1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 70291111
N-[2-[[2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 95227390
2-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10856608
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 86957177
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide
CID 86955466
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide
CID 96551201

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (CID 79423477) is N-(2-hydroxyethyl)-2-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is O=C(CC1CCc2ccccc2C1O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is UTQFMKVJSRTQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-8-7-15-13(17)9-11-6-5-10-3-1-2-4-12(10)14(11)18/h1-4,11,14,16,18H,5-9H2,(H,15,17).
What are the key properties of N-(2-hydroxyethyl)-2-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
N-(2-hydroxyethyl)-2-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 79423477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).