3-cyclopropyl-N-[2-(2-fluoro-3-methylbutanoyl)-2-azaspiro[3.3]heptan-6-yl]-3-methylbutanamide

C19H31FN2O2 — CID 166327811

IUPAC3-cyclopropyl-N-[2-(2-fluoro-3-methylbutanoyl)-2-azaspiro[3.3]heptan-6-yl]-3-methylbutanamide
SMILESCC(C)C(F)C(=O)N1CC2(CC(NC(=O)CC(C)(C)C3CC3)C2)C1
InChIInChI=1S/C19H31FN2O2/c1-12(2)16(20)17(24)22-10-19(11-22)7-14(8-19)21-15(23)9-18(3,4)13-5-6-13/h12-14,16H,5-11H2,1-4H3,(H,21,23)
InChIKeyYYXBWXAVKUSMDI-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.91
Rot. Bonds6

About 3-cyclopropyl-N-[2-(2-fluoro-3-methylbutanoyl)-2-azaspiro[3.3]heptan-6-yl]-3-methylbutanamide

3-cyclopropyl-N-[2-(2-fluoro-3-methylbutanoyl)-2-azaspiro[3.3]heptan-6-yl]-3-methylbutanamide (PubChem CID 166327811) has the molecular formula C19H31FN2O2 and a molecular weight of 338.47 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(2-fluoro-3-methylbutanoyl)-2-azaspiro[3.3]heptan-6-yl]-3-methylbutanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(2-fluoro-3-methylbutanoyl)-2-azaspiro[3.3]heptan-6-yl]-3-methylbutanamide
PubChem CID166327811
Molecular FormulaC19H31FN2O2
Molecular Weight338.47 g/mol
Exact Mass338.24
IUPAC Name3-cyclopropyl-N-[2-(2-fluoro-3-methylbutanoyl)-2-azaspiro[3.3]heptan-6-yl]-3-methylbutanamide
SMILESCC(C)C(F)C(=O)N1CC2(CC(NC(=O)CC(C)(C)C3CC3)C2)C1
InChIInChI=1S/C19H31FN2O2/c1-12(2)16(20)17(24)22-10-19(11-22)7-14(8-19)21-15(23)9-18(3,4)13-5-6-13/h12-14,16H,5-11H2,1-4H3,(H,21,23)
InChIKeyYYXBWXAVKUSMDI-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(2-fluoro-3-methylbutanoyl)-2-azaspiro[3.3]heptan-6-yl]-3-methylbutanamide?
The IUPAC name of 3-cyclopropyl-N-[2-(2-fluoro-3-methylbutanoyl)-2-azaspiro[3.3]heptan-6-yl]-3-methylbutanamide (CID 166327811) is 3-cyclopropyl-N-[2-(2-fluoro-3-methylbutanoyl)-2-azaspiro[3.3]heptan-6-yl]-3-methylbutanamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(2-fluoro-3-methylbutanoyl)-2-azaspiro[3.3]heptan-6-yl]-3-methylbutanamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(2-fluoro-3-methylbutanoyl)-2-azaspiro[3.3]heptan-6-yl]-3-methylbutanamide is CC(C)C(F)C(=O)N1CC2(CC(NC(=O)CC(C)(C)C3CC3)C2)C1.
What is the InChIKey of 3-cyclopropyl-N-[2-(2-fluoro-3-methylbutanoyl)-2-azaspiro[3.3]heptan-6-yl]-3-methylbutanamide?
The InChIKey is YYXBWXAVKUSMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN2O2/c1-12(2)16(20)17(24)22-10-19(11-22)7-14(8-19)21-15(23)9-18(3,4)13-5-6-13/h12-14,16H,5-11H2,1-4H3,(H,21,23).
What are the key properties of 3-cyclopropyl-N-[2-(2-fluoro-3-methylbutanoyl)-2-azaspiro[3.3]heptan-6-yl]-3-methylbutanamide?
3-cyclopropyl-N-[2-(2-fluoro-3-methylbutanoyl)-2-azaspiro[3.3]heptan-6-yl]-3-methylbutanamide has a molecular weight of 338.47 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(2-fluoro-3-methylbutanoyl)-2-azaspiro[3.3]heptan-6-yl]-3-methylbutanamide is sourced from PubChem (CID 166327811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).