methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate

C17H22N2O5 — CID 109003312

IUPACmethyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1cccc(NCC(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C17H22N2O5/c1-22-16(21)13-3-2-4-14(11-13)18-12-15(20)19-7-5-17(6-8-19)23-9-10-24-17/h2-4,11,18H,5-10,12H2,1H3
InChIKeyMTABTQYQPWLQDM-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.25
Rot. Bonds4

About methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate

methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate (PubChem CID 109003312) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate
PubChem CID109003312
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Namemethyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1cccc(NCC(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C17H22N2O5/c1-22-16(21)13-3-2-4-14(11-13)18-12-15(20)19-7-5-17(6-8-19)23-9-10-24-17/h2-4,11,18H,5-10,12H2,1H3
InChIKeyMTABTQYQPWLQDM-UHFFFAOYSA-N
XLogP1.25
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 109003341
methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carbonyl]amino]benzoate
CID 23140589
methyl 3-[[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonyl]amino]benzoate
CID 109160015
2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 108995450
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[(3S)-3-hydroxy-1,1-dimethyl-2,3-dihydroinden-5-yl]amino]ethanone
CID 124883173
methyl 3-[[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]benzoate
CID 112862728
methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate
CID 22080521
methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate
CID 109013882
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-ethyl-6-methylanilino)ethanone
CID 109003276
methyl 4-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 26417352
methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]amino]benzoate
CID 112956656
methyl 3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoate
CID 108992868

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate (CID 109003312) is methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate is COC(=O)c1cccc(NCC(=O)N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate?
The InChIKey is MTABTQYQPWLQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-22-16(21)13-3-2-4-14(11-13)18-12-15(20)19-7-5-17(6-8-19)23-9-10-24-17/h2-4,11,18H,5-10,12H2,1H3.
What are the key properties of methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate?
methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate has a molecular weight of 334.37 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 109003312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).