N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide

C19H32N2O3 — CID 164604861

IUPACN-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CC2(CCC2)C1)C(C)OCC1CCCCC1
InChIInChI=1S/C19H32N2O3/c1-14(24-11-16-7-4-3-5-8-16)17(20-15(2)22)18(23)21-12-19(13-21)9-6-10-19/h14,16-17H,3-13H2,1-2H3,(H,20,22)
InChIKeyOVQGSXXCRJHISI-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.49
Rot. Bonds6

About N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide

N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide (PubChem CID 164604861) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide
PubChem CID164604861
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC NameN-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CC2(CCC2)C1)C(C)OCC1CCCCC1
InChIInChI=1S/C19H32N2O3/c1-14(24-11-16-7-4-3-5-8-16)17(20-15(2)22)18(23)21-12-19(13-21)9-6-10-19/h14,16-17H,3-13H2,1-2H3,(H,20,22)
InChIKeyOVQGSXXCRJHISI-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide (CID 164604861) is N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide is CC(=O)NC(C(=O)N1CC2(CCC2)C1)C(C)OCC1CCCCC1.
What is the InChIKey of N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide?
The InChIKey is OVQGSXXCRJHISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-14(24-11-16-7-4-3-5-8-16)17(20-15(2)22)18(23)21-12-19(13-21)9-6-10-19/h14,16-17H,3-13H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide?
N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide has a molecular weight of 336.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-azaspiro[3.3]heptan-2-yl)-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 164604861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).