N-butan-2-yl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

C14H23NO3 — CID 2921847

IUPACN-butan-2-yl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCCC(C)NC(=O)C1CC(=O)OC12CCCCC2
InChIInChI=1S/C14H23NO3/c1-3-10(2)15-13(17)11-9-12(16)18-14(11)7-5-4-6-8-14/h10-11H,3-9H2,1-2H3,(H,15,17)
InChIKeyRFWIMYBVPSDZCV-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.17
Rot. Bonds3

About N-butan-2-yl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

N-butan-2-yl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 2921847) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-butan-2-yl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID2921847
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-butan-2-yl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCCC(C)NC(=O)C1CC(=O)OC12CCCCC2
InChIInChI=1S/C14H23NO3/c1-3-10(2)15-13(17)11-9-12(16)18-14(11)7-5-4-6-8-14/h10-11H,3-9H2,1-2H3,(H,15,17)
InChIKeyRFWIMYBVPSDZCV-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (CID 2921847) is N-butan-2-yl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is CCC(C)NC(=O)C1CC(=O)OC12CCCCC2.
What is the InChIKey of N-butan-2-yl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is RFWIMYBVPSDZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-10(2)15-13(17)11-9-12(16)18-14(11)7-5-4-6-8-14/h10-11H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-butan-2-yl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
N-butan-2-yl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 253.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 2921847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).