2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide

C17H27F2N3O4 — CID 131683528

IUPAC2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCOCC2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2
InChIInChI=1S/C17H27F2N3O4/c1-20(2)14(23)9-21-3-5-25-12-16(10-21)11-22(4-6-26-16)15(24)13-7-17(18,19)8-13/h13H,3-12H2,1-2H3
InChIKeyDVHCDCCMXIKJIN-UHFFFAOYSA-N
MW375.42 g/mol
LogP0.05
Rot. Bonds3

About 2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide

2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide (PubChem CID 131683528) has the molecular formula C17H27F2N3O4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide
PubChem CID131683528
Molecular FormulaC17H27F2N3O4
Molecular Weight375.42 g/mol
Exact Mass375.20
IUPAC Name2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCOCC2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2
InChIInChI=1S/C17H27F2N3O4/c1-20(2)14(23)9-21-3-5-25-12-16(10-21)11-22(4-6-26-16)15(24)13-7-17(18,19)8-13/h13H,3-12H2,1-2H3
InChIKeyDVHCDCCMXIKJIN-UHFFFAOYSA-N
XLogP0.05
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131685023
N,N-dimethyl-2-[(6S)-4-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide
CID 97398407
cyclopropyl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
CID 155876988
1-[(6R)-4-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373186
oxolan-3-yl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
CID 131655848
cyclopent-3-en-1-yl-[(6R)-8-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 97398414
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
4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131684237
N,N-dimethyl-2-[(6R)-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 97492446
4-(cyclopropylmethyl)-8-(4-methylcyclohexanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131684285
[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-3-ylmethanone
CID 134072870
N-methyl-2-[4-(pyridine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide
CID 134072875

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide (CID 131683528) is 2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCOCC2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2.
What is the InChIKey of 2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide?
The InChIKey is DVHCDCCMXIKJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N3O4/c1-20(2)14(23)9-21-3-5-25-12-16(10-21)11-22(4-6-26-16)15(24)13-7-17(18,19)8-13/h13H,3-12H2,1-2H3.
What are the key properties of 2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide?
2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide has a molecular weight of 375.42 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 131683528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).