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

C24H28N2O3 — CID 131655489

IUPAC[1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(CN2CC3(COC(C(=O)N4CCCC4)C3)c3ccccc32)cc1
InChIInChI=1S/C24H28N2O3/c1-28-19-10-8-18(9-11-19)15-26-16-24(20-6-2-3-7-21(20)26)14-22(29-17-24)23(27)25-12-4-5-13-25/h2-3,6-11,22H,4-5,12-17H2,1H3
InChIKeyUAEHMOLPQSTPQB-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.36
Rot. Bonds4

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

[1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone (PubChem CID 131655489) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is [1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone
PubChem CID131655489
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name[1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(CN2CC3(COC(C(=O)N4CCCC4)C3)c3ccccc32)cc1
InChIInChI=1S/C24H28N2O3/c1-28-19-10-8-18(9-11-19)15-26-16-24(20-6-2-3-7-21(20)26)14-22(29-17-24)23(27)25-12-4-5-13-25/h2-3,6-11,22H,4-5,12-17H2,1H3
InChIKeyUAEHMOLPQSTPQB-UHFFFAOYSA-N
XLogP3.36
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone
CID 124521340
(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
tert-butyl 2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 171080628
(3R,5R)-9-[(4-methoxyphenyl)methyl]-N,N-dimethyl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 124519960
[(2R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 97184786
1-[(4-methoxyphenyl)methyl]-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 24720670
[(4S)-2-[(4-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 97451928
2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 131652331
(3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol
CID 101452309
cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone (CID 131655489) is [1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone is COc1ccc(CN2CC3(COC(C(=O)N4CCCC4)C3)c3ccccc32)cc1.
What is the InChIKey of [1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UAEHMOLPQSTPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-28-19-10-8-18(9-11-19)15-26-16-24(20-6-2-3-7-21(20)26)14-22(29-17-24)23(27)25-12-4-5-13-25/h2-3,6-11,22H,4-5,12-17H2,1H3.
What are the key properties of [1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone?
[1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 392.50 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 131655489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).