methyl 9-ethyl-2-(hydroxymethyl)-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate

C22H28N2O4 — CID 624565

IUPACmethyl 9-ethyl-2-(hydroxymethyl)-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate
SMILESCCC1CN2C3CC1C(CO)(C(=O)OC)C2CC31C(=O)N(C)c2ccccc21
InChIInChI=1S/C22H28N2O4/c1-4-13-11-24-17-9-15(13)22(12-25,20(27)28-3)18(24)10-21(17)14-7-5-6-8-16(14)23(2)19(21)26/h5-8,13,15,17-18,25H,4,9-12H2,1-3H3
InChIKeyXFZPUFVXWNTFHL-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.56
Rot. Bonds3

About methyl 9-ethyl-2-(hydroxymethyl)-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate

methyl 9-ethyl-2-(hydroxymethyl)-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate (PubChem CID 624565) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is methyl 9-ethyl-2-(hydroxymethyl)-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate.

Molecular Properties

Compound Namemethyl 9-ethyl-2-(hydroxymethyl)-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate
PubChem CID624565
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Namemethyl 9-ethyl-2-(hydroxymethyl)-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate
SMILESCCC1CN2C3CC1C(CO)(C(=O)OC)C2CC31C(=O)N(C)c2ccccc21
InChIInChI=1S/C22H28N2O4/c1-4-13-11-24-17-9-15(13)22(12-25,20(27)28-3)18(24)10-21(17)14-7-5-6-8-16(14)23(2)19(21)26/h5-8,13,15,17-18,25H,4,9-12H2,1-3H3
InChIKeyXFZPUFVXWNTFHL-UHFFFAOYSA-N
XLogP1.56
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 9-ethyl-2-(hydroxymethyl)-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 9-ethylidene-2-(hydroxymethyl)-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate
CID 624294
methyl (1R,3S,5S,6S,9Z)-9-ethylidene-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate
CID 102116997
methyl (3S)-3-[(3S)-3-methoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
CID 122219444
(1R,2S,3S,5S,6S,9Z)-9-ethylidene-2-(hydroxymethyl)-1'-methylspiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2'-one
CID 162917448
2-amino-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84719129
(1R,2S,4S,5R,7S)-2-(2-hydroxypropyl)-1'-methylspiro[10-oxa-8-azatricyclo[5.4.0.04,8]undecane-5,3'-indole]-2'-one
CID 118715146
(1R,2S,5R,7S)-2-(2-hydroxypropyl)-1'-methylspiro[10-oxa-8-azatricyclo[5.4.0.04,8]undecane-5,3'-indole]-2'-one
CID 176729905
(1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one
CID 15884898
methyl (3R)-1-methyl-2-oxo-3-propan-2-ylindole-3-carboxylate
CID 171828755
methyl 1,1'-dimethyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-indole]-4-carboxylate
CID 13362420
methyl (1R,9S,11S,14E,15S,17S,19R)-14-ethylidene-19-(hydroxymethyl)-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
CID 163186991
ethyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
CID 135043371

Frequently Asked Questions

What is the IUPAC name of methyl 9-ethyl-2-(hydroxymethyl)-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate?
The IUPAC name of methyl 9-ethyl-2-(hydroxymethyl)-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate (CID 624565) is methyl 9-ethyl-2-(hydroxymethyl)-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate.
What is the SMILES notation for methyl 9-ethyl-2-(hydroxymethyl)-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate?
The canonical SMILES for methyl 9-ethyl-2-(hydroxymethyl)-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate is CCC1CN2C3CC1C(CO)(C(=O)OC)C2CC31C(=O)N(C)c2ccccc21.
What is the InChIKey of methyl 9-ethyl-2-(hydroxymethyl)-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate?
The InChIKey is XFZPUFVXWNTFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-13-11-24-17-9-15(13)22(12-25,20(27)28-3)18(24)10-21(17)14-7-5-6-8-16(14)23(2)19(21)26/h5-8,13,15,17-18,25H,4,9-12H2,1-3H3.
What are the key properties of methyl 9-ethyl-2-(hydroxymethyl)-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate?
methyl 9-ethyl-2-(hydroxymethyl)-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-ethyl-2-(hydroxymethyl)-1'-methyl-2'-oxospiro[7-azatricyclo[4.3.1.03,7]decane-5,3'-indole]-2-carboxylate is sourced from PubChem (CID 624565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).