N-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide

C15H18N2O3 — CID 166420101

IUPACN-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)N1CCCOC1
InChIInChI=1S/C15H18N2O3/c1-2-14(18)16-13-7-4-3-6-12(13)10-15(19)17-8-5-9-20-11-17/h2-4,6-7H,1,5,8-11H2,(H,16,18)
InChIKeyRIQXGDXTQKPCHP-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.56
Rot. Bonds4

About N-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide

N-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 166420101) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID166420101
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)N1CCCOC1
InChIInChI=1S/C15H18N2O3/c1-2-14(18)16-13-7-4-3-6-12(13)10-15(19)17-8-5-9-20-11-17/h2-4,6-7H,1,5,8-11H2,(H,16,18)
InChIKeyRIQXGDXTQKPCHP-UHFFFAOYSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.56
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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Related Compounds

N-[2-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide
CID 166420866
N-[2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420879
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
N-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 167763725
N-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide
CID 166420099
N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420720
N,N-dimethyl-1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 166420126
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
3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
CID 110739649
2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
CID 134160663
2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
CID 62536138

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide (CID 166420101) is N-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1CC(=O)N1CCCOC1.
What is the InChIKey of N-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is RIQXGDXTQKPCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-14(18)16-13-7-4-3-6-12(13)10-15(19)17-8-5-9-20-11-17/h2-4,6-7H,1,5,8-11H2,(H,16,18).
What are the key properties of N-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide?
N-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 274.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166420101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).