(1'R,4R)-N-[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide

C21H25NO3 — CID 167893640

IUPAC(1'R,4R)-N-[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
SMILESO=C1CC2(CCC2)C(CNC(=O)[C@@H]2C[C@]23CCCc2ccccc23)O1
InChIInChI=1S/C21H25NO3/c23-18-12-20(8-4-9-20)17(25-18)13-22-19(24)16-11-21(16)10-3-6-14-5-1-2-7-15(14)21/h1-2,5,7,16-17H,3-4,6,8-13H2,(H,22,24)/t16-,17?,21-/m0/s1
InChIKeyUPIWQCLUBPRYBD-RFXBXZJJSA-N
MW339.44 g/mol
LogP2.88
Rot. Bonds3

About (1'R,4R)-N-[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide

(1'R,4R)-N-[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 167893640) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (1'R,4R)-N-[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'R,4R)-N-[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID167893640
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(1'R,4R)-N-[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
SMILESO=C1CC2(CCC2)C(CNC(=O)[C@@H]2C[C@]23CCCc2ccccc23)O1
InChIInChI=1S/C21H25NO3/c23-18-12-20(8-4-9-20)17(25-18)13-22-19(24)16-11-21(16)10-3-6-14-5-1-2-7-15(14)21/h1-2,5,7,16-17H,3-4,6,8-13H2,(H,22,24)/t16-,17?,21-/m0/s1
InChIKeyUPIWQCLUBPRYBD-RFXBXZJJSA-N
XLogP2.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1'R,4R)-N-[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'R,4R)-N-[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'R,4R)-N-[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide (CID 167893640) is (1'R,4R)-N-[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'R,4R)-N-[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'R,4R)-N-[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide is O=C1CC2(CCC2)C(CNC(=O)[C@@H]2C[C@]23CCCc2ccccc23)O1.
What is the InChIKey of (1'R,4R)-N-[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is UPIWQCLUBPRYBD-RFXBXZJJSA-N. The full InChI is InChI=1S/C21H25NO3/c23-18-12-20(8-4-9-20)17(25-18)13-22-19(24)16-11-21(16)10-3-6-14-5-1-2-7-15(14)21/h1-2,5,7,16-17H,3-4,6,8-13H2,(H,22,24)/t16-,17?,21-/m0/s1.
What are the key properties of (1'R,4R)-N-[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
(1'R,4R)-N-[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4R)-N-[(7-oxo-6-oxaspiro[3.4]octan-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 167893640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).