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

C16H25F2N3O2 — CID 131682428

IUPAC9-[(3,3-difluorocyclobutyl)methyl]-N-propyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCCCNC(=O)C1=NOC2(CCCN(CC3CC(F)(F)C3)C2)C1
InChIInChI=1S/C16H25F2N3O2/c1-2-5-19-14(22)13-9-15(23-20-13)4-3-6-21(11-15)10-12-7-16(17,18)8-12/h12H,2-11H2,1H3,(H,19,22)
InChIKeyKSGHOVRSFFWZOT-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.17
Rot. Bonds5

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

9-[(3,3-difluorocyclobutyl)methyl]-N-propyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 131682428) has the molecular formula C16H25F2N3O2 and a molecular weight of 329.39 g/mol. Its IUPAC name is 9-[(3,3-difluorocyclobutyl)methyl]-N-propyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound Name9-[(3,3-difluorocyclobutyl)methyl]-N-propyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID131682428
Molecular FormulaC16H25F2N3O2
Molecular Weight329.39 g/mol
Exact Mass329.19
IUPAC Name9-[(3,3-difluorocyclobutyl)methyl]-N-propyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCCCNC(=O)C1=NOC2(CCCN(CC3CC(F)(F)C3)C2)C1
InChIInChI=1S/C16H25F2N3O2/c1-2-5-19-14(22)13-9-15(23-20-13)4-3-6-21(11-15)10-12-7-16(17,18)8-12/h12H,2-11H2,1H3,(H,19,22)
InChIKeyKSGHOVRSFFWZOT-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(3,3-difluorocyclobutyl)methyl]-N-propyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of 9-[(3,3-difluorocyclobutyl)methyl]-N-propyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 131682428) is 9-[(3,3-difluorocyclobutyl)methyl]-N-propyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for 9-[(3,3-difluorocyclobutyl)methyl]-N-propyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for 9-[(3,3-difluorocyclobutyl)methyl]-N-propyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is CCCNC(=O)C1=NOC2(CCCN(CC3CC(F)(F)C3)C2)C1.
What is the InChIKey of 9-[(3,3-difluorocyclobutyl)methyl]-N-propyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is KSGHOVRSFFWZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3O2/c1-2-5-19-14(22)13-9-15(23-20-13)4-3-6-21(11-15)10-12-7-16(17,18)8-12/h12H,2-11H2,1H3,(H,19,22).
What are the key properties of 9-[(3,3-difluorocyclobutyl)methyl]-N-propyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
9-[(3,3-difluorocyclobutyl)methyl]-N-propyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 329.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,3-difluorocyclobutyl)methyl]-N-propyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 131682428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).