N,N-dimethyl-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide;2,2,2-trifluoroacetic acid

C16H28F3N3O5 — CID 155847814

IUPACN,N-dimethyl-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCOCC2(CN(C(=O)N(C)C)CCO2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H27N3O3.C2HF3O2/c1-12(2)16-5-7-19-11-14(9-16)10-17(6-8-20-14)13(18)15(3)4;3-2(4,5)1(6)7/h12H,5-11H2,1-4H3;(H,6,7)
InChIKeyZNNUUOSSUNNOII-UHFFFAOYSA-N
MW399.41 g/mol
LogP1.11
Rot. Bonds1

About N,N-dimethyl-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155847814) has the molecular formula C16H28F3N3O5 and a molecular weight of 399.41 g/mol. Its IUPAC name is N,N-dimethyl-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155847814
Molecular FormulaC16H28F3N3O5
Molecular Weight399.41 g/mol
Exact Mass399.20
IUPAC NameN,N-dimethyl-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCOCC2(CN(C(=O)N(C)C)CCO2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H27N3O3.C2HF3O2/c1-12(2)16-5-7-19-11-14(9-16)10-17(6-8-20-14)13(18)15(3)4;3-2(4,5)1(6)7/h12H,5-11H2,1-4H3;(H,6,7)
InChIKeyZNNUUOSSUNNOII-UHFFFAOYSA-N
XLogP1.11
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide
CID 156737064
(4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155837685
N,N-dimethyl-9-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide;ethane
CID 168983702
(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone
CID 131640395
N-methyl-N,4-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 158454849
1-[4-(thiophen-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155847721
1-[4-[(1-methylpyrazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155856728
(6S)-4-(4-fluorophenyl)-N,N-dimethyl-3-oxo-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 97374585
(6S)-4-(furan-3-yl)-N,N-dimethyl-3-oxo-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 97374677
2-N,2-N,7-N,8-tetramethyl-5-oxa-2,8-diazaspiro[3.5]nonane-2,7-dicarboxamide;2,2,2-trifluoroacetic acid
CID 155849523
2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide
CID 131683528
N-[(5R,9S)-2-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155841480

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide;2,2,2-trifluoroacetic acid (CID 155847814) is N,N-dimethyl-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide;2,2,2-trifluoroacetic acid is CC(C)N1CCOCC2(CN(C(=O)N(C)C)CCO2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZNNUUOSSUNNOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3.C2HF3O2/c1-12(2)16-5-7-19-11-14(9-16)10-17(6-8-20-14)13(18)15(3)4;3-2(4,5)1(6)7/h12H,5-11H2,1-4H3;(H,6,7).
What are the key properties of N,N-dimethyl-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 399.41 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155847814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).