(4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide

C15H19NO3 — CID 11118838

IUPAC(4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide
SMILESC=C/C=C/[C@@H](CCC(=O)NO)OCc1ccccc1
InChIInChI=1S/C15H19NO3/c1-2-3-9-14(10-11-15(17)16-18)19-12-13-7-5-4-6-8-13/h2-9,14,18H,1,10-12H2,(H,16,17)/b9-3+/t14-/m0/s1
InChIKeyHNHBGOOWMYVBLO-WMKWSGJFSA-N
MW261.32 g/mol
LogP2.60
Rot. Bonds8

About (4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide

(4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide (PubChem CID 11118838) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide.

Molecular Properties

Compound Name(4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide
PubChem CID11118838
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide
SMILESC=C/C=C/[C@@H](CCC(=O)NO)OCc1ccccc1
InChIInChI=1S/C15H19NO3/c1-2-3-9-14(10-11-15(17)16-18)19-12-13-7-5-4-6-8-13/h2-9,14,18H,1,10-12H2,(H,16,17)/b9-3+/t14-/m0/s1
InChIKeyHNHBGOOWMYVBLO-WMKWSGJFSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(benzyloxy)cyclohexanecarboxamide
CID 3686111
Benzyl (cyclohexanecarbonylamino) carbonate
CID 177376012
3-Benzyloxy-4-cyanobutyramide
CID 129829986
Benzylsuccinamate
CID 21470073
Benzyloxyacetohydroxamic
CID 130650652
Benzyl 6-(methoxyamino)-6-oxohexanoate
CID 177217595
(2S)-2-methyl-N-phenylmethoxybutanamide
CID 93608488
N-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide
CID 54055046
4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide
CID 59568769
4-(2-fluorophenyl)-N-hydroxy-4-methoxybutanamide
CID 59568773
4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-methylbutanamide
CID 59568775
(2R)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-N-hydroxypentanamide
CID 59568778

Frequently Asked Questions

What is the IUPAC name of (4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide?
The IUPAC name of (4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide (CID 11118838) is (4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide.
What is the SMILES notation for (4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide?
The canonical SMILES for (4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide is C=C/C=C/[C@@H](CCC(=O)NO)OCc1ccccc1.
What is the InChIKey of (4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide?
The InChIKey is HNHBGOOWMYVBLO-WMKWSGJFSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-3-9-14(10-11-15(17)16-18)19-12-13-7-5-4-6-8-13/h2-9,14,18H,1,10-12H2,(H,16,17)/b9-3+/t14-/m0/s1.
What are the key properties of (4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide?
(4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide has a molecular weight of 261.32 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide is sourced from PubChem (CID 11118838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).