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

C17H27F2N3O2 — CID 131682510

IUPACN-(3,3-difluorocyclobutyl)-9-(3-methylbutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCC(C)CCN1CCCC2(CC(C(=O)NC3CC(F)(F)C3)=NO2)C1
InChIInChI=1S/C17H27F2N3O2/c1-12(2)4-7-22-6-3-5-16(11-22)10-14(21-24-16)15(23)20-13-8-17(18,19)9-13/h12-13H,3-11H2,1-2H3,(H,20,23)
InChIKeyCKGYLJBRQMQRGX-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.56
Rot. Bonds5

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

N-(3,3-difluorocyclobutyl)-9-(3-methylbutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 131682510) has the molecular formula C17H27F2N3O2 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-9-(3-methylbutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-9-(3-methylbutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID131682510
Molecular FormulaC17H27F2N3O2
Molecular Weight343.42 g/mol
Exact Mass343.21
IUPAC NameN-(3,3-difluorocyclobutyl)-9-(3-methylbutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCC(C)CCN1CCCC2(CC(C(=O)NC3CC(F)(F)C3)=NO2)C1
InChIInChI=1S/C17H27F2N3O2/c1-12(2)4-7-22-6-3-5-16(11-22)10-14(21-24-16)15(23)20-13-8-17(18,19)9-13/h12-13H,3-11H2,1-2H3,(H,20,23)
InChIKeyCKGYLJBRQMQRGX-UHFFFAOYSA-N
XLogP2.56
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-9-(3-methylbutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-9-(3-methylbutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 131682510) is N-(3,3-difluorocyclobutyl)-9-(3-methylbutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-9-(3-methylbutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-9-(3-methylbutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is CC(C)CCN1CCCC2(CC(C(=O)NC3CC(F)(F)C3)=NO2)C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-9-(3-methylbutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is CKGYLJBRQMQRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N3O2/c1-12(2)4-7-22-6-3-5-16(11-22)10-14(21-24-16)15(23)20-13-8-17(18,19)9-13/h12-13H,3-11H2,1-2H3,(H,20,23).
What are the key properties of N-(3,3-difluorocyclobutyl)-9-(3-methylbutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
N-(3,3-difluorocyclobutyl)-9-(3-methylbutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-9-(3-methylbutyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 131682510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).