methyl 1-methyl-3-(2-oxa-7-azaspiro[3.4]octane-7-carbonylamino)indole-2-carboxylate

C18H21N3O4 — CID 139017657

IUPACmethyl 1-methyl-3-(2-oxa-7-azaspiro[3.4]octane-7-carbonylamino)indole-2-carboxylate
SMILESCOC(=O)c1c(NC(=O)N2CCC3(COC3)C2)c2ccccc2n1C
InChIInChI=1S/C18H21N3O4/c1-20-13-6-4-3-5-12(13)14(15(20)16(22)24-2)19-17(23)21-8-7-18(9-21)10-25-11-18/h3-6H,7-11H2,1-2H3,(H,19,23)
InChIKeyCODAVAJIIFBVMQ-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.22
Rot. Bonds2

About methyl 1-methyl-3-(2-oxa-7-azaspiro[3.4]octane-7-carbonylamino)indole-2-carboxylate

methyl 1-methyl-3-(2-oxa-7-azaspiro[3.4]octane-7-carbonylamino)indole-2-carboxylate (PubChem CID 139017657) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 1-methyl-3-(2-oxa-7-azaspiro[3.4]octane-7-carbonylamino)indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-(2-oxa-7-azaspiro[3.4]octane-7-carbonylamino)indole-2-carboxylate
PubChem CID139017657
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Namemethyl 1-methyl-3-(2-oxa-7-azaspiro[3.4]octane-7-carbonylamino)indole-2-carboxylate
SMILESCOC(=O)c1c(NC(=O)N2CCC3(COC3)C2)c2ccccc2n1C
InChIInChI=1S/C18H21N3O4/c1-20-13-6-4-3-5-12(13)14(15(20)16(22)24-2)19-17(23)21-8-7-18(9-21)10-25-11-18/h3-6H,7-11H2,1-2H3,(H,19,23)
InChIKeyCODAVAJIIFBVMQ-UHFFFAOYSA-N
XLogP2.22
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-methyl-3-(2-oxa-7-azaspiro[3.4]octane-7-carbonylamino)indole-2-carboxylate with MolForge

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Related Compounds

methyl 3-[[dimethyl(oxo)-λ6-sulfanylidene]carbamoylamino]-1-methylindole-2-carboxylate
CID 154796416
(5R)-N-dibenzofuran-3-yl-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97017490
tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate
CID 124615985
(5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99633932
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 126792098
3-(cyclopropanecarbonylamino)-1-methylindole-2-carboxylic acid
CID 155961141
methyl 1-methyl-3-sulfinamoylindole-2-carboxylate
CID 1209072
N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 131644499
2,2-dimethyl-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-1-one
CID 170540653
N-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide
CID 159878969
methyl 3-acetamido-1-methyl-5-phenylmethoxyindole-2-carboxylate
CID 4777725
3-methoxy-1-methylindole-2-carboxylic acid
CID 12619892

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3-(2-oxa-7-azaspiro[3.4]octane-7-carbonylamino)indole-2-carboxylate?
The IUPAC name of methyl 1-methyl-3-(2-oxa-7-azaspiro[3.4]octane-7-carbonylamino)indole-2-carboxylate (CID 139017657) is methyl 1-methyl-3-(2-oxa-7-azaspiro[3.4]octane-7-carbonylamino)indole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-(2-oxa-7-azaspiro[3.4]octane-7-carbonylamino)indole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-3-(2-oxa-7-azaspiro[3.4]octane-7-carbonylamino)indole-2-carboxylate is COC(=O)c1c(NC(=O)N2CCC3(COC3)C2)c2ccccc2n1C.
What is the InChIKey of methyl 1-methyl-3-(2-oxa-7-azaspiro[3.4]octane-7-carbonylamino)indole-2-carboxylate?
The InChIKey is CODAVAJIIFBVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-20-13-6-4-3-5-12(13)14(15(20)16(22)24-2)19-17(23)21-8-7-18(9-21)10-25-11-18/h3-6H,7-11H2,1-2H3,(H,19,23).
What are the key properties of methyl 1-methyl-3-(2-oxa-7-azaspiro[3.4]octane-7-carbonylamino)indole-2-carboxylate?
methyl 1-methyl-3-(2-oxa-7-azaspiro[3.4]octane-7-carbonylamino)indole-2-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-(2-oxa-7-azaspiro[3.4]octane-7-carbonylamino)indole-2-carboxylate is sourced from PubChem (CID 139017657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).