N-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide

C19H23N3O3 — CID 166420099

IUPACN-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)N1CCC2(CCC(=O)N2)CC1
InChIInChI=1S/C19H23N3O3/c1-2-16(23)20-15-6-4-3-5-14(15)13-18(25)22-11-9-19(10-12-22)8-7-17(24)21-19/h2-6H,1,7-13H2,(H,20,23)(H,21,24)
InChIKeyXOADNZOAFWBMPB-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.62
Rot. Bonds4

About N-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide

N-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide (PubChem CID 166420099) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide
PubChem CID166420099
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)N1CCC2(CCC(=O)N2)CC1
InChIInChI=1S/C19H23N3O3/c1-2-16(23)20-15-6-4-3-5-14(15)13-18(25)22-11-9-19(10-12-22)8-7-17(24)21-19/h2-6H,1,7-13H2,(H,20,23)(H,21,24)
InChIKeyXOADNZOAFWBMPB-UHFFFAOYSA-N
XLogP1.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420879
N-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide
CID 166420101
N-[2-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide
CID 166420866
N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420720
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
N-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide
CID 166420836
2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide
CID 166420856
N,N-dimethyl-1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 166420126
8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493677
(5R)-N-(2-but-3-enylphenyl)-3-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
CID 129350078
N-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 167763725
(5S)-7-(1-phenylcyclopentanecarbonyl)-1,7-diazaspiro[4.4]nonan-2-one
CID 164635054

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide (CID 166420099) is N-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1CC(=O)N1CCC2(CCC(=O)N2)CC1.
What is the InChIKey of N-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide?
The InChIKey is XOADNZOAFWBMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-16(23)20-15-6-4-3-5-14(15)13-18(25)22-11-9-19(10-12-22)8-7-17(24)21-19/h2-6H,1,7-13H2,(H,20,23)(H,21,24).
What are the key properties of N-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide?
N-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide has a molecular weight of 341.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166420099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).