[(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone

C24H28N2O4 — CID 124521340

IUPAC[(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CN2C[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)c3ccccc32)cc1
InChIInChI=1S/C24H28N2O4/c1-28-19-8-6-18(7-9-19)15-26-16-24(20-4-2-3-5-21(20)26)14-22(30-17-24)23(27)25-10-12-29-13-11-25/h2-9,22H,10-17H2,1H3/t22-,24-/m1/s1
InChIKeyKBELXZNZWVQXJF-ISKFKSNPSA-N
MW408.50 g/mol
LogP2.60
Rot. Bonds4

About [(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone

[(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone (PubChem CID 124521340) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is [(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone
PubChem CID124521340
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name[(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CN2C[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)c3ccccc32)cc1
InChIInChI=1S/C24H28N2O4/c1-28-19-8-6-18(7-9-19)15-26-16-24(20-4-2-3-5-21(20)26)14-22(30-17-24)23(27)25-10-12-29-13-11-25/h2-9,22H,10-17H2,1H3/t22-,24-/m1/s1
InChIKeyKBELXZNZWVQXJF-ISKFKSNPSA-N
XLogP2.60
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone
CID 131655489
(2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 124522503
(2'S,3S)-1-[(4-methoxyphenyl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 97440071
1-benzyl-N-(5-methyl-2-pyridinyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 131658736
[(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 98778276
[(3S)-2-[(4-methoxyphenyl)methyl]-1,1-dioxospiro[1,2-benzothiazole-3,3'-pyrrolidine]-1'-yl]-morpholin-4-ylmethanone
CID 97438807
[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 124797078
[(3aR,5R,7aR)-1-[(4-methoxyphenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155838753
(3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol
CID 101452309
1-(1-benzoylspiro[2H-indole-3,4'-oxolane]-2'-yl)-3-morpholin-4-ylpropan-1-one
CID 134690534
[(4S)-2-[(4-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 97451928
3-[6-[3-(4-methoxyphenyl)propanoyl]-6-azaspiro[3.4]octan-8-yl]-1-morpholin-4-ylpropan-1-one
CID 154579718

Frequently Asked Questions

What is the IUPAC name of [(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone (CID 124521340) is [(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone is COc1ccc(CN2C[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)c3ccccc32)cc1.
What is the InChIKey of [(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone?
The InChIKey is KBELXZNZWVQXJF-ISKFKSNPSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-28-19-8-6-18(7-9-19)15-26-16-24(20-4-2-3-5-21(20)26)14-22(30-17-24)23(27)25-10-12-29-13-11-25/h2-9,22H,10-17H2,1H3/t22-,24-/m1/s1.
What are the key properties of [(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone?
[(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone has a molecular weight of 408.50 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 124521340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).