N-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide

C22H27NO3 — CID 171139697

IUPACN-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1CC(C(=O)N(CC=Cc2ccccc2)C2CC2)C2(CCCCC2)O1
InChIInChI=1S/C22H27NO3/c24-20-16-19(22(26-20)13-5-2-6-14-22)21(25)23(18-11-12-18)15-7-10-17-8-3-1-4-9-17/h1,3-4,7-10,18-19H,2,5-6,11-16H2
InChIKeyXPHKPFZRJRLIBF-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.96
Rot. Bonds5

About N-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide

N-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 171139697) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID171139697
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1CC(C(=O)N(CC=Cc2ccccc2)C2CC2)C2(CCCCC2)O1
InChIInChI=1S/C22H27NO3/c24-20-16-19(22(26-20)13-5-2-6-14-22)21(25)23(18-11-12-18)15-7-10-17-8-3-1-4-9-17/h1,3-4,7-10,18-19H,2,5-6,11-16H2
InChIKeyXPHKPFZRJRLIBF-UHFFFAOYSA-N
XLogP3.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide (CID 171139697) is N-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide is O=C1CC(C(=O)N(CC=Cc2ccccc2)C2CC2)C2(CCCCC2)O1.
What is the InChIKey of N-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is XPHKPFZRJRLIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c24-20-16-19(22(26-20)13-5-2-6-14-22)21(25)23(18-11-12-18)15-7-10-17-8-3-1-4-9-17/h1,3-4,7-10,18-19H,2,5-6,11-16H2.
What are the key properties of N-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide?
N-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 353.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-oxo-N-(3-phenylprop-2-enyl)-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 171139697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).