[3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone

C24H34N2O3 — CID 158732514

IUPAC[3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone
SMILESCOc1cccc2[nH]c(C(=O)N3CC4(CCOCC4)CC3(C(C)C)C(C)C)cc12
InChIInChI=1S/C24H34N2O3/c1-16(2)24(17(3)4)14-23(9-11-29-12-10-23)15-26(24)22(27)20-13-18-19(25-20)7-6-8-21(18)28-5/h6-8,13,16-17,25H,9-12,14-15H2,1-5H3
InChIKeyHNMJPAGBDDDPBC-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.87
Rot. Bonds4

About [3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone

[3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone (PubChem CID 158732514) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is [3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone
PubChem CID158732514
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name[3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone
SMILESCOc1cccc2[nH]c(C(=O)N3CC4(CCOCC4)CC3(C(C)C)C(C)C)cc12
InChIInChI=1S/C24H34N2O3/c1-16(2)24(17(3)4)14-23(9-11-29-12-10-23)15-26(24)22(27)20-13-18-19(25-20)7-6-8-21(18)28-5/h6-8,13,16-17,25H,9-12,14-15H2,1-5H3
InChIKeyHNMJPAGBDDDPBC-UHFFFAOYSA-N
XLogP4.87
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone
CID 166840060
(2-amino-3-ethyl-2-propan-2-ylazetidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone
CID 166749535
2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-methyl-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-8-oxa-2-azaspiro[4.5]decane-3-carboxamide
CID 167229915
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
(1-amino-1,5-dimethyl-3,4-dihydroisoquinolin-2-yl)-(4-methoxy-1H-indol-2-yl)methanone
CID 167076958
[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone
CID 136587475
(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
(6-chloro-1H-indol-2-yl)-[8,8-difluoro-3,3-di(propan-2-yl)-2-azaspiro[4.5]decan-2-yl]methanone
CID 162479050
(1S,4R,8R)-9-(4-methoxy-1H-indole-2-carbonyl)-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 155509049
(6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164694211
1H-indol-2-yl-(4-methoxy-1H-indol-2-yl)methanone
CID 11543838

Frequently Asked Questions

What is the IUPAC name of [3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of [3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone (CID 158732514) is [3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone is COc1cccc2[nH]c(C(=O)N3CC4(CCOCC4)CC3(C(C)C)C(C)C)cc12.
What is the InChIKey of [3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone?
The InChIKey is HNMJPAGBDDDPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-16(2)24(17(3)4)14-23(9-11-29-12-10-23)15-26(24)22(27)20-13-18-19(25-20)7-6-8-21(18)28-5/h6-8,13,16-17,25H,9-12,14-15H2,1-5H3.
What are the key properties of [3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone?
[3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone has a molecular weight of 398.55 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-di(propan-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 158732514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).