N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

C15H21NO2 — CID 10999367

IUPACN-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
SMILESCC(=O)NC[C@@](C)(O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H21NO2/c1-11(17)16-10-15(2,18)14-8-7-12-5-3-4-6-13(12)9-14/h7-9,18H,3-6,10H2,1-2H3,(H,16,17)/t15-/m1/s1
InChIKeyVTYULAAYOWGSHC-OAHLLOKOSA-N
MW247.34 g/mol
LogP1.91
Rot. Bonds3

About N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (PubChem CID 10999367) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
PubChem CID10999367
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
SMILESCC(=O)NC[C@@](C)(O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H21NO2/c1-11(17)16-10-15(2,18)14-8-7-12-5-3-4-6-13(12)9-14/h7-9,18H,3-6,10H2,1-2H3,(H,16,17)/t15-/m1/s1
InChIKeyVTYULAAYOWGSHC-OAHLLOKOSA-N
XLogP1.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 101124562
[(2R)-1-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl] acetate
CID 10902327
6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol
CID 115515280
N-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]acetamide
CID 115191462
2-[[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]amino]acetamide
CID 115260325
2-chloro-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]acetamide
CID 115162255
5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol
CID 114851831
1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide
CID 115172769
2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol
CID 114194197
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid
CID 117049182
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82116189
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (CID 10999367) is N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is CC(=O)NC[C@@](C)(O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The InChIKey is VTYULAAYOWGSHC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(17)16-10-15(2,18)14-8-7-12-5-3-4-6-13(12)9-14/h7-9,18H,3-6,10H2,1-2H3,(H,16,17)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is sourced from PubChem (CID 10999367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).