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

C19H25N3O5 — CID 23140589

IUPACmethyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)N2CC(N3CCC4(CC3)OCCO4)C2)c1
InChIInChI=1S/C19H25N3O5/c1-25-17(23)14-3-2-4-15(11-14)20-18(24)22-12-16(13-22)21-7-5-19(6-8-21)26-9-10-27-19/h2-4,11,16H,5-10,12-13H2,1H3,(H,20,24)
InChIKeyGAPICYNZWDJXLV-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.53
Rot. Bonds3

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

methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carbonyl]amino]benzoate (PubChem CID 23140589) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carbonyl]amino]benzoate
PubChem CID23140589
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Namemethyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)N2CC(N3CCC4(CC3)OCCO4)C2)c1
InChIInChI=1S/C19H25N3O5/c1-25-17(23)14-3-2-4-15(11-14)20-18(24)22-12-16(13-22)21-7-5-19(6-8-21)26-9-10-27-19/h2-4,11,16H,5-10,12-13H2,1H3,(H,20,24)
InChIKeyGAPICYNZWDJXLV-UHFFFAOYSA-N
XLogP1.53
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
CID 23140398
N-(3,5-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carboxamide
CID 23140022
methyl 3-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104448
methyl 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]benzoate
CID 109003312
methyl 3-(pyrrolidine-1-carbonylamino)benzoate
CID 39732853
methyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate
CID 23140713
methyl 3-[[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonyl]amino]benzoate
CID 109160015
(3R)-N-(3-acetylphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 29022203
methyl 3-[[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]benzoate
CID 112862728
methyl 3-[[3-(dipropylamino)azetidine-1-carbonyl]amino]benzoate
CID 23140433
(3aS,6aR)-2-[(3-methoxycarbonylphenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122076112
methyl 3-[2-[3-[(2-methylmorpholine-4-carbonyl)amino]phenyl]ethynyl]benzoate
CID 47040480

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carbonyl]amino]benzoate (CID 23140589) is methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)N2CC(N3CCC4(CC3)OCCO4)C2)c1.
What is the InChIKey of methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carbonyl]amino]benzoate?
The InChIKey is GAPICYNZWDJXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-25-17(23)14-3-2-4-15(11-14)20-18(24)22-12-16(13-22)21-7-5-19(6-8-21)26-9-10-27-19/h2-4,11,16H,5-10,12-13H2,1H3,(H,20,24).
What are the key properties of methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carbonyl]amino]benzoate?
methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carbonyl]amino]benzoate has a molecular weight of 375.43 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 23140589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).