N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[(2R)-oxolan-2-yl]propanamide

C16H27NO3 — CID 129421241

IUPACN-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCCO2)C12CCC2
InChIInChI=1S/C16H27NO3/c1-2-19-14-11-13(16(14)8-4-9-16)17-15(18)7-6-12-5-3-10-20-12/h12-14H,2-11H2,1H3,(H,17,18)/t12-,13-,14-/m1/s1
InChIKeyAEJVITVBFCVOGU-MGPQQGTHSA-N
MW281.40 g/mol
LogP2.41
Rot. Bonds6

About N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[(2R)-oxolan-2-yl]propanamide

N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[(2R)-oxolan-2-yl]propanamide (PubChem CID 129421241) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[(2R)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[(2R)-oxolan-2-yl]propanamide
PubChem CID129421241
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCCO2)C12CCC2
InChIInChI=1S/C16H27NO3/c1-2-19-14-11-13(16(14)8-4-9-16)17-15(18)7-6-12-5-3-10-20-12/h12-14H,2-11H2,1H3,(H,17,18)/t12-,13-,14-/m1/s1
InChIKeyAEJVITVBFCVOGU-MGPQQGTHSA-N
XLogP2.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[(2R)-oxolan-2-yl]propanamide?
The IUPAC name of N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[(2R)-oxolan-2-yl]propanamide (CID 129421241) is N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[(2R)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[(2R)-oxolan-2-yl]propanamide?
The canonical SMILES for N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[(2R)-oxolan-2-yl]propanamide is CCO[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCCO2)C12CCC2.
What is the InChIKey of N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[(2R)-oxolan-2-yl]propanamide?
The InChIKey is AEJVITVBFCVOGU-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-19-14-11-13(16(14)8-4-9-16)17-15(18)7-6-12-5-3-10-20-12/h12-14H,2-11H2,1H3,(H,17,18)/t12-,13-,14-/m1/s1.
What are the key properties of N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[(2R)-oxolan-2-yl]propanamide?
N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[(2R)-oxolan-2-yl]propanamide has a molecular weight of 281.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[(2R)-oxolan-2-yl]propanamide is sourced from PubChem (CID 129421241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).