N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide

C20H32F2N2O4 — CID 164604897

IUPACN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCC2(CC1)COC2)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C20H32F2N2O4/c1-14(28-11-16-3-5-20(21,22)6-4-16)17(23-15(2)25)18(26)24-9-7-19(8-10-24)12-27-13-19/h14,16-17H,3-13H2,1-2H3,(H,23,25)
InChIKeyBVTQKIRVDAQHQU-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.36
Rot. Bonds6

About N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide

N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide (PubChem CID 164604897) has the molecular formula C20H32F2N2O4 and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide
PubChem CID164604897
Molecular FormulaC20H32F2N2O4
Molecular Weight402.48 g/mol
Exact Mass402.23
IUPAC NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCC2(CC1)COC2)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C20H32F2N2O4/c1-14(28-11-16-3-5-20(21,22)6-4-16)17(23-15(2)25)18(26)24-9-7-19(8-10-24)12-27-13-19/h14,16-17H,3-13H2,1-2H3,(H,23,25)
InChIKeyBVTQKIRVDAQHQU-UHFFFAOYSA-N
XLogP2.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide (CID 164604897) is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCC2(CC1)COC2)C(C)OCC1CCC(F)(F)CC1.
What is the InChIKey of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide?
The InChIKey is BVTQKIRVDAQHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F2N2O4/c1-14(28-11-16-3-5-20(21,22)6-4-16)17(23-15(2)25)18(26)24-9-7-19(8-10-24)12-27-13-19/h14,16-17H,3-13H2,1-2H3,(H,23,25).
What are the key properties of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide?
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide has a molecular weight of 402.48 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 164604897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).