tert-butyl N-[2-[5,5-difluoro-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]carbamate

C17H28F2N4O4 — CID 146625848

IUPACtert-butyl N-[2-[5,5-difluoro-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]carbamate
SMILESCNCC(=O)N1CC2(CCN(C(=O)CNC(=O)OC(C)(C)C)CC2(F)F)C1
InChIInChI=1S/C17H28F2N4O4/c1-15(2,3)27-14(26)21-8-13(25)22-6-5-16(17(18,19)11-22)9-23(10-16)12(24)7-20-4/h20H,5-11H2,1-4H3,(H,21,26)
InChIKeyAOURJSIWNCHOPY-UHFFFAOYSA-N
MW390.43 g/mol
LogP0.43
Rot. Bonds4

About tert-butyl N-[2-[5,5-difluoro-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]carbamate

tert-butyl N-[2-[5,5-difluoro-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]carbamate (PubChem CID 146625848) has the molecular formula C17H28F2N4O4 and a molecular weight of 390.43 g/mol. Its IUPAC name is tert-butyl N-[2-[5,5-difluoro-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5,5-difluoro-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]carbamate
PubChem CID146625848
Molecular FormulaC17H28F2N4O4
Molecular Weight390.43 g/mol
Exact Mass390.21
IUPAC Nametert-butyl N-[2-[5,5-difluoro-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]carbamate
SMILESCNCC(=O)N1CC2(CCN(C(=O)CNC(=O)OC(C)(C)C)CC2(F)F)C1
InChIInChI=1S/C17H28F2N4O4/c1-15(2,3)27-14(26)21-8-13(25)22-6-5-16(17(18,19)11-22)9-23(10-16)12(24)7-20-4/h20H,5-11H2,1-4H3,(H,21,26)
InChIKeyAOURJSIWNCHOPY-UHFFFAOYSA-N
XLogP0.43
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[7-[2-[[4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]carbamate
CID 166894911
tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane
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tert-butyl N-[2-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)-2-oxoethyl]carbamate
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tert-butyl N-[2-[4-[(cyclopropanecarbonylamino)methyl]piperidin-1-yl]-2-oxoethyl]carbamate
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tert-butyl N-[2-(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]carbamate
CID 130269222
tert-butyl N-[(3R)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]carbamate
CID 70792371
tert-butyl N-[2-oxo-2-[3-(trifluoromethoxy)pyrrolidin-1-yl]ethyl]carbamate
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tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate
CID 140958930
tert-butyl N-[2-[4-(3-methylbut-2-enoyl)-1,4-diazepan-1-yl]-2-oxoethyl]carbamate
CID 108916191
tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate
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tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5,5-difluoro-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[5,5-difluoro-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]carbamate (CID 146625848) is tert-butyl N-[2-[5,5-difluoro-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5,5-difluoro-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5,5-difluoro-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]carbamate is CNCC(=O)N1CC2(CCN(C(=O)CNC(=O)OC(C)(C)C)CC2(F)F)C1.
What is the InChIKey of tert-butyl N-[2-[5,5-difluoro-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]carbamate?
The InChIKey is AOURJSIWNCHOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2N4O4/c1-15(2,3)27-14(26)21-8-13(25)22-6-5-16(17(18,19)11-22)9-23(10-16)12(24)7-20-4/h20H,5-11H2,1-4H3,(H,21,26).
What are the key properties of tert-butyl N-[2-[5,5-difluoro-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[5,5-difluoro-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]carbamate has a molecular weight of 390.43 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[5,5-difluoro-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 146625848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).