9-butyl-N-(3,3-difluorocyclobutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C16H25F2N3O2 — CID 131682461

IUPAC9-butyl-N-(3,3-difluorocyclobutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCCCCN1CCCC2(CC(C(=O)NC3CC(F)(F)C3)=NO2)C1
InChIInChI=1S/C16H25F2N3O2/c1-2-3-6-21-7-4-5-15(11-21)10-13(20-23-15)14(22)19-12-8-16(17,18)9-12/h12H,2-11H2,1H3,(H,19,22)
InChIKeyFWKKSEGZNBDXDN-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.31
Rot. Bonds5

About 9-butyl-N-(3,3-difluorocyclobutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

9-butyl-N-(3,3-difluorocyclobutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 131682461) has the molecular formula C16H25F2N3O2 and a molecular weight of 329.39 g/mol. Its IUPAC name is 9-butyl-N-(3,3-difluorocyclobutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound Name9-butyl-N-(3,3-difluorocyclobutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID131682461
Molecular FormulaC16H25F2N3O2
Molecular Weight329.39 g/mol
Exact Mass329.19
IUPAC Name9-butyl-N-(3,3-difluorocyclobutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCCCCN1CCCC2(CC(C(=O)NC3CC(F)(F)C3)=NO2)C1
InChIInChI=1S/C16H25F2N3O2/c1-2-3-6-21-7-4-5-15(11-21)10-13(20-23-15)14(22)19-12-8-16(17,18)9-12/h12H,2-11H2,1H3,(H,19,22)
InChIKeyFWKKSEGZNBDXDN-UHFFFAOYSA-N
XLogP2.31
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-butyl-N-(3,3-difluorocyclobutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of 9-butyl-N-(3,3-difluorocyclobutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 131682461) is 9-butyl-N-(3,3-difluorocyclobutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for 9-butyl-N-(3,3-difluorocyclobutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for 9-butyl-N-(3,3-difluorocyclobutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is CCCCN1CCCC2(CC(C(=O)NC3CC(F)(F)C3)=NO2)C1.
What is the InChIKey of 9-butyl-N-(3,3-difluorocyclobutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is FWKKSEGZNBDXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3O2/c1-2-3-6-21-7-4-5-15(11-21)10-13(20-23-15)14(22)19-12-8-16(17,18)9-12/h12H,2-11H2,1H3,(H,19,22).
What are the key properties of 9-butyl-N-(3,3-difluorocyclobutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
9-butyl-N-(3,3-difluorocyclobutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 329.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-N-(3,3-difluorocyclobutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 131682461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).