(2R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N-[(4-methyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C18H26F6N2O2 — CID 175790465

IUPAC(2R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N-[(4-methyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCC1(CNC(=O)[C@@]2(C(C(F)(F)F)C(F)(F)F)CC23CCNCC3)CCOCC1
InChIInChI=1S/C18H26F6N2O2/c1-14(4-8-28-9-5-14)11-26-13(27)16(10-15(16)2-6-25-7-3-15)12(17(19,20)21)18(22,23)24/h12,25H,2-11H2,1H3,(H,26,27)/t16-/m0/s1
InChIKeyAPXGCIGIGXZWLN-INIZCTEOSA-N
MW416.41 g/mol
LogP3.42
Rot. Bonds4

About (2R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N-[(4-methyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

(2R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N-[(4-methyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 175790465) has the molecular formula C18H26F6N2O2 and a molecular weight of 416.41 g/mol. Its IUPAC name is (2R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N-[(4-methyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N-[(4-methyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID175790465
Molecular FormulaC18H26F6N2O2
Molecular Weight416.41 g/mol
Exact Mass416.19
IUPAC Name(2R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N-[(4-methyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCC1(CNC(=O)[C@@]2(C(C(F)(F)F)C(F)(F)F)CC23CCNCC3)CCOCC1
InChIInChI=1S/C18H26F6N2O2/c1-14(4-8-28-9-5-14)11-26-13(27)16(10-15(16)2-6-25-7-3-15)12(17(19,20)21)18(22,23)24/h12,25H,2-11H2,1H3,(H,26,27)/t16-/m0/s1
InChIKeyAPXGCIGIGXZWLN-INIZCTEOSA-N
XLogP3.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N-[(4-methyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide with MolForge

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Related Compounds

3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide
CID 113267282
1-amino-N-[(4-methyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 103798079
2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 103742498
N-[(4-methylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 113400555
N-[(4-methylpiperidin-4-yl)methyl]morpholine-4-carboxamide
CID 113400569
3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 114125228
1-carbamothioyl-N-[(4-methyloxan-4-yl)methyl]cyclobutane-1-carboxamide
CID 114125500
2-(ethylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 103812942
4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide
CID 103722107
N-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 113400510
(E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide
CID 103742481
2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide
CID 103827766

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N-[(4-methyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N-[(4-methyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 175790465) is (2R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N-[(4-methyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N-[(4-methyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N-[(4-methyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is CC1(CNC(=O)[C@@]2(C(C(F)(F)F)C(F)(F)F)CC23CCNCC3)CCOCC1.
What is the InChIKey of (2R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N-[(4-methyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is APXGCIGIGXZWLN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26F6N2O2/c1-14(4-8-28-9-5-14)11-26-13(27)16(10-15(16)2-6-25-7-3-15)12(17(19,20)21)18(22,23)24/h12,25H,2-11H2,1H3,(H,26,27)/t16-/m0/s1.
What are the key properties of (2R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N-[(4-methyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N-[(4-methyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 416.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N-[(4-methyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 175790465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).