N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-yl]prop-2-enamide

C15H25NO3 — CID 166408218

IUPACN-[(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCOCC2
InChIInChI=1S/C15H25NO3/c1-5-13(17)16-11-10-12(19-14(2,3)4)15(11)6-8-18-9-7-15/h5,11-12H,1,6-10H2,2-4H3,(H,16,17)/t11-,12-/m1/s1
InChIKeyBIHUFUGXHSQBNZ-VXGBXAGGSA-N
MW267.37 g/mol
LogP2.04
Rot. Bonds3

About N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-yl]prop-2-enamide

N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-yl]prop-2-enamide (PubChem CID 166408218) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-yl]prop-2-enamide
PubChem CID166408218
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCOCC2
InChIInChI=1S/C15H25NO3/c1-5-13(17)16-11-10-12(19-14(2,3)4)15(11)6-8-18-9-7-15/h5,11-12H,1,6-10H2,2-4H3,(H,16,17)/t11-,12-/m1/s1
InChIKeyBIHUFUGXHSQBNZ-VXGBXAGGSA-N
XLogP2.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-yl]prop-2-enamide?
The IUPAC name of N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-yl]prop-2-enamide (CID 166408218) is N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-yl]prop-2-enamide.
What is the SMILES notation for N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-yl]prop-2-enamide?
The canonical SMILES for N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-yl]prop-2-enamide is C=CC(=O)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCOCC2.
What is the InChIKey of N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-yl]prop-2-enamide?
The InChIKey is BIHUFUGXHSQBNZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-13(17)16-11-10-12(19-14(2,3)4)15(11)6-8-18-9-7-15/h5,11-12H,1,6-10H2,2-4H3,(H,16,17)/t11-,12-/m1/s1.
What are the key properties of N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-yl]prop-2-enamide?
N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-yl]prop-2-enamide has a molecular weight of 267.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxy]-7-oxaspiro[3.5]nonan-1-yl]prop-2-enamide is sourced from PubChem (CID 166408218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).