N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide

C19H23NO3 — CID 91776792

IUPACN-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide
SMILESO=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)C(=O)c1ccccc1
InChIInChI=1S/C19H23NO3/c21-17(13-8-2-1-3-9-13)19(22)20-16-14-10-11-23-18(14)15(16)12-6-4-5-7-12/h1-3,8-9,12,14-16,18H,4-7,10-11H2,(H,20,22)/t14-,15+,16+,18-/m0/s1
InChIKeyLXISMSBWOJPEAO-LHHMISFZSA-N
MW313.40 g/mol
LogP2.58
Rot. Bonds4

About N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide

N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide (PubChem CID 91776792) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide
PubChem CID91776792
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide
SMILESO=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)C(=O)c1ccccc1
InChIInChI=1S/C19H23NO3/c21-17(13-8-2-1-3-9-13)19(22)20-16-14-10-11-23-18(14)15(16)12-6-4-5-7-12/h1-3,8-9,12,14-16,18H,4-7,10-11H2,(H,20,22)/t14-,15+,16+,18-/m0/s1
InChIKeyLXISMSBWOJPEAO-LHHMISFZSA-N
XLogP2.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91790884
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide
CID 91762510
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide
CID 133267093
2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide
CID 156609525
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 133265898
N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide
CID 133267354
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide
CID 133266207
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide
CID 91770801
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 91772237
N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,3-difluoro-6-methoxybenzamide
CID 133264832
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-ethoxyfuran-2-carboxamide
CID 133266791

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide?
The IUPAC name of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide (CID 91776792) is N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide.
What is the SMILES notation for N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide?
The canonical SMILES for N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide is O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)C(=O)c1ccccc1.
What is the InChIKey of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide?
The InChIKey is LXISMSBWOJPEAO-LHHMISFZSA-N. The full InChI is InChI=1S/C19H23NO3/c21-17(13-8-2-1-3-9-13)19(22)20-16-14-10-11-23-18(14)15(16)12-6-4-5-7-12/h1-3,8-9,12,14-16,18H,4-7,10-11H2,(H,20,22)/t14-,15+,16+,18-/m0/s1.
What are the key properties of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide?
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide has a molecular weight of 313.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-2-phenylacetamide is sourced from PubChem (CID 91776792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).