N-hydroxy-3-(12-oxo-2-oxabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)prop-2-enamide

C19H25NO4 — CID 123869348

IUPACN-hydroxy-3-(12-oxo-2-oxabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)C(=O)CCCCCCCCCO2)NO
InChIInChI=1S/C19H25NO4/c21-17-8-6-4-2-1-3-5-7-13-24-18-11-9-15(14-16(17)18)10-12-19(22)20-23/h9-12,14,23H,1-8,13H2,(H,20,22)
InChIKeyDYAIQJHAPUFYHH-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.90
Rot. Bonds2

About N-hydroxy-3-(12-oxo-2-oxabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)prop-2-enamide

N-hydroxy-3-(12-oxo-2-oxabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)prop-2-enamide (PubChem CID 123869348) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is N-hydroxy-3-(12-oxo-2-oxabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-(12-oxo-2-oxabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)prop-2-enamide
PubChem CID123869348
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC NameN-hydroxy-3-(12-oxo-2-oxabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)C(=O)CCCCCCCCCO2)NO
InChIInChI=1S/C19H25NO4/c21-17-8-6-4-2-1-3-5-7-13-24-18-11-9-15(14-16(17)18)10-12-19(22)20-23/h9-12,14,23H,1-8,13H2,(H,20,22)
InChIKeyDYAIQJHAPUFYHH-UHFFFAOYSA-N
XLogP3.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide
CID 169482398
N-hydroxy-3-(4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enamide
CID 75631482
N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide
CID 169466156
N-[(5-oxo-3,4-dihydro-2H-1-benzoxepin-7-yl)methyl]acetamide
CID 10609667
(E)-N-hydroxy-3-(1'-methyl-3-oxospiro[1-benzofuran-2,4'-piperidine]-5-yl)prop-2-enamide
CID 52951172
4-(4-oxo-2,3-dihydrochromen-6-yl)but-3-enal
CID 170482549
6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one
CID 169476137
(E)-N-hydroxy-3-(4-oxo-1'-propanoylspiro[3H-chromene-2,3'-pyrrolidine]-6-yl)prop-2-enamide
CID 51356711
(E)-N-hydroxy-3-(1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide
CID 71698854
N-hydroxy-3-(1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide
CID 78153116
N-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride
CID 78153115
N-hydroxy-3-(4-oxo-1'-pyrimidin-2-ylspiro[3H-chromene-2,4'-piperidine]-6-yl)prop-2-enamide
CID 74975570

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(12-oxo-2-oxabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)prop-2-enamide?
The IUPAC name of N-hydroxy-3-(12-oxo-2-oxabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)prop-2-enamide (CID 123869348) is N-hydroxy-3-(12-oxo-2-oxabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-(12-oxo-2-oxabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)prop-2-enamide?
The canonical SMILES for N-hydroxy-3-(12-oxo-2-oxabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)prop-2-enamide is O=C(C=Cc1ccc2c(c1)C(=O)CCCCCCCCCO2)NO.
What is the InChIKey of N-hydroxy-3-(12-oxo-2-oxabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)prop-2-enamide?
The InChIKey is DYAIQJHAPUFYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c21-17-8-6-4-2-1-3-5-7-13-24-18-11-9-15(14-16(17)18)10-12-19(22)20-23/h9-12,14,23H,1-8,13H2,(H,20,22).
What are the key properties of N-hydroxy-3-(12-oxo-2-oxabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)prop-2-enamide?
N-hydroxy-3-(12-oxo-2-oxabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)prop-2-enamide has a molecular weight of 331.41 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(12-oxo-2-oxabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)prop-2-enamide is sourced from PubChem (CID 123869348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).