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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Related Compounds

N-Benzyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 561109
1-Cyclohexyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 3745249
Mitiglinide impurity 23
CID 73265296
1-Oxaspiro(4.5)decane-4-carboxamide, 2-oxo-N-(phenylmethyl)-
CID 3077984
2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]decane-4-carboxamide
CID 2921916
(2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate
CID 25897907
tert-butyl (3S)-3-benzyl-4-oxo-4-[(5R)-3,3,5-trimethyl-2-oxopyrrolidin-1-yl]butanoate
CID 10809371
Tert-butyl 4-benzyl-5-oxo-6-phenyl-4-azaspiro[2.4]heptane-6-carboxylate
CID 134941601
CID 134974290
CID 134974290
ethyl (3S,4R)-1-tert-butyl-2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 135021017
(4R)-4-benzhydryl-3-[(3R)-5-oxo-2-pentyloxolane-3-carbonyl]-1,3-oxazolidin-2-one
CID 135050641
methyl (2R,3S)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 139039173

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).