methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate

C20H24N2O6 — CID 109138800

IUPACmethyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC2C(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C20H24N2O6/c1-26-19(25)13-2-4-14(5-3-13)21-17(23)15-12-16(15)18(24)22-8-6-20(7-9-22)27-10-11-28-20/h2-5,15-16H,6-12H2,1H3,(H,21,23)
InChIKeyGFWIROWWRLVPRO-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.41
Rot. Bonds4

About methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate

methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 109138800) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID109138800
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Namemethyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC2C(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C20H24N2O6/c1-26-19(25)13-2-4-14(5-3-13)21-17(23)15-12-16(15)18(24)22-8-6-20(7-9-22)27-10-11-28-20/h2-5,15-16H,6-12H2,1H3,(H,21,23)
InChIKeyGFWIROWWRLVPRO-UHFFFAOYSA-N
XLogP1.41
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

N-(3,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
CID 109138752
methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetyl]amino]benzoate
CID 44902452
N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
CID 109138754
ethyl 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109133425
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 109138786
methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109134760
methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142627
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109132315
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 109137808
N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133552
N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134248

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate (CID 109138800) is methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2CC2C(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is GFWIROWWRLVPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-26-19(25)13-2-4-14(5-3-13)21-17(23)15-12-16(15)18(24)22-8-6-20(7-9-22)27-10-11-28-20/h2-5,15-16H,6-12H2,1H3,(H,21,23).
What are the key properties of methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate?
methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 388.42 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109138800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).