1-morpholin-4-yl-2-[1-[(E)-pent-1-enyl]naphthalen-2-yl]oxyethanone

C21H25NO3 — CID 172662682

IUPAC1-morpholin-4-yl-2-[1-[(E)-pent-1-enyl]naphthalen-2-yl]oxyethanone
SMILESCCC/C=C/c1c(OCC(=O)N2CCOCC2)ccc2ccccc12
InChIInChI=1S/C21H25NO3/c1-2-3-4-9-19-18-8-6-5-7-17(18)10-11-20(19)25-16-21(23)22-12-14-24-15-13-22/h4-11H,2-3,12-16H2,1H3/b9-4+
InChIKeyXJJVVKHSMOMHHH-RUDMXATFSA-N
MW339.44 g/mol
LogP3.89
Rot. Bonds6

About 1-morpholin-4-yl-2-[1-[(E)-pent-1-enyl]naphthalen-2-yl]oxyethanone

1-morpholin-4-yl-2-[1-[(E)-pent-1-enyl]naphthalen-2-yl]oxyethanone (PubChem CID 172662682) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[1-[(E)-pent-1-enyl]naphthalen-2-yl]oxyethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[1-[(E)-pent-1-enyl]naphthalen-2-yl]oxyethanone
PubChem CID172662682
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name1-morpholin-4-yl-2-[1-[(E)-pent-1-enyl]naphthalen-2-yl]oxyethanone
SMILESCCC/C=C/c1c(OCC(=O)N2CCOCC2)ccc2ccccc12
InChIInChI=1S/C21H25NO3/c1-2-3-4-9-19-18-8-6-5-7-17(18)10-11-20(19)25-16-21(23)22-12-14-24-15-13-22/h4-11H,2-3,12-16H2,1H3/b9-4+
InChIKeyXJJVVKHSMOMHHH-RUDMXATFSA-N
XLogP3.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
CID 4769726
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
4-[[2-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3940706
2-[2-[(1R)-1-hydroxypropyl]phenoxy]-1-morpholin-4-ylethanone
CID 78930986
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
N-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]naphthalene-2-sulfonamide
CID 35779863
1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone
CID 43277297
6-bromo-2-[(2S)-butan-2-yl]-3-[[2-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]methylideneamino]quinazolin-4-one
CID 126325316
2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]naphthalene-1-carbaldehyde
CID 9009861
3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
2-(5-bromo-1-benzofuran-2-yl)-3-[[2-(2-morpholin-4-yl-2-oxoethoxy)naphthalen-1-yl]methylideneamino]quinazolin-4-one
CID 126295850

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[1-[(E)-pent-1-enyl]naphthalen-2-yl]oxyethanone?
The IUPAC name of 1-morpholin-4-yl-2-[1-[(E)-pent-1-enyl]naphthalen-2-yl]oxyethanone (CID 172662682) is 1-morpholin-4-yl-2-[1-[(E)-pent-1-enyl]naphthalen-2-yl]oxyethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[1-[(E)-pent-1-enyl]naphthalen-2-yl]oxyethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[1-[(E)-pent-1-enyl]naphthalen-2-yl]oxyethanone is CCC/C=C/c1c(OCC(=O)N2CCOCC2)ccc2ccccc12.
What is the InChIKey of 1-morpholin-4-yl-2-[1-[(E)-pent-1-enyl]naphthalen-2-yl]oxyethanone?
The InChIKey is XJJVVKHSMOMHHH-RUDMXATFSA-N. The full InChI is InChI=1S/C21H25NO3/c1-2-3-4-9-19-18-8-6-5-7-17(18)10-11-20(19)25-16-21(23)22-12-14-24-15-13-22/h4-11H,2-3,12-16H2,1H3/b9-4+.
What are the key properties of 1-morpholin-4-yl-2-[1-[(E)-pent-1-enyl]naphthalen-2-yl]oxyethanone?
1-morpholin-4-yl-2-[1-[(E)-pent-1-enyl]naphthalen-2-yl]oxyethanone has a molecular weight of 339.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[1-[(E)-pent-1-enyl]naphthalen-2-yl]oxyethanone is sourced from PubChem (CID 172662682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).