N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-phenoxyacetamide

C18H19NO3 — CID 42627855

IUPACN-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N[C@@H]1c2ccccc2CC[C@@H]1O
InChIInChI=1S/C18H19NO3/c20-16-11-10-13-6-4-5-9-15(13)18(16)19-17(21)12-22-14-7-2-1-3-8-14/h1-9,16,18,20H,10-12H2,(H,19,21)/t16-,18+/m0/s1
InChIKeyQHMLJBZKGKKYIZ-FUHWJXTLSA-N
MW297.35 g/mol
LogP2.23
Rot. Bonds4

About N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-phenoxyacetamide

N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-phenoxyacetamide (PubChem CID 42627855) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-phenoxyacetamide
PubChem CID42627855
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N[C@@H]1c2ccccc2CC[C@@H]1O
InChIInChI=1S/C18H19NO3/c20-16-11-10-13-6-4-5-9-15(13)18(16)19-17(21)12-22-14-7-2-1-3-8-14/h1-9,16,18,20H,10-12H2,(H,19,21)/t16-,18+/m0/s1
InChIKeyQHMLJBZKGKKYIZ-FUHWJXTLSA-N
XLogP2.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-phenoxyacetamide (CID 42627855) is N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)N[C@@H]1c2ccccc2CC[C@@H]1O.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-phenoxyacetamide?
The InChIKey is QHMLJBZKGKKYIZ-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H19NO3/c20-16-11-10-13-6-4-5-9-15(13)18(16)19-17(21)12-22-14-7-2-1-3-8-14/h1-9,16,18,20H,10-12H2,(H,19,21)/t16-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-phenoxyacetamide?
N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-phenoxyacetamide has a molecular weight of 297.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-phenoxyacetamide is sourced from PubChem (CID 42627855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).