2-(4-hydroxyphenyl)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]acetamide

C18H23NO3 — CID 124733406

IUPAC2-(4-hydroxyphenyl)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]acetamide
SMILESO=C(Cc1ccc(O)cc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2
InChIInChI=1S/C18H23NO3/c20-13-5-3-12(4-6-13)11-15(21)19-16-14-7-10-22-17(14)18(16)8-1-2-9-18/h3-6,14,16-17,20H,1-2,7-11H2,(H,19,21)/t14-,16+,17+/m0/s1
InChIKeyKTJQFGZPTQZBJT-USXIJHARSA-N
MW301.39 g/mol
LogP2.40
Rot. Bonds3

About 2-(4-hydroxyphenyl)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]acetamide

2-(4-hydroxyphenyl)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]acetamide (PubChem CID 124733406) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]acetamide
PubChem CID124733406
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-(4-hydroxyphenyl)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]acetamide
SMILESO=C(Cc1ccc(O)cc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2
InChIInChI=1S/C18H23NO3/c20-13-5-3-12(4-6-13)11-15(21)19-16-14-7-10-22-17(14)18(16)8-1-2-9-18/h3-6,14,16-17,20H,1-2,7-11H2,(H,19,21)/t14-,16+,17+/m0/s1
InChIKeyKTJQFGZPTQZBJT-USXIJHARSA-N
XLogP2.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclobutyl-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]propanamide
CID 99635444
1-[(1-hydroxycyclopentyl)methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
CID 109390208
1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylurea
CID 109398974
1-(1H-pyrazol-5-ylmethyl)-3-[(1S,5S,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]urea
CID 99850452
(2S)-2-acetamido-4-oxo-4-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylamino)butanoic acid
CID 155969470
4-(3-hydroxyphenyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperazine-1-carboxamide
CID 127659184
1-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,5S,6S)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]urea
CID 97242798
6-(dimethylamino)-N-[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide
CID 124858762
1-(5-methyl-2-pyridinyl)-3-[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]urea
CID 129429117
6-(dimethylamino)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide
CID 124858763
6-(dimethylamino)-N-[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]pyridazine-3-carboxamide
CID 99598567
1-(3-hydroxy-3-phenylpropyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylurea
CID 109396749

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]acetamide (CID 124733406) is 2-(4-hydroxyphenyl)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]acetamide is O=C(Cc1ccc(O)cc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]acetamide?
The InChIKey is KTJQFGZPTQZBJT-USXIJHARSA-N. The full InChI is InChI=1S/C18H23NO3/c20-13-5-3-12(4-6-13)11-15(21)19-16-14-7-10-22-17(14)18(16)8-1-2-9-18/h3-6,14,16-17,20H,1-2,7-11H2,(H,19,21)/t14-,16+,17+/m0/s1.
What are the key properties of 2-(4-hydroxyphenyl)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]acetamide?
2-(4-hydroxyphenyl)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]acetamide has a molecular weight of 301.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]acetamide is sourced from PubChem (CID 124733406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).