(2E,4E)-N-[6-(hydroxyamino)-6-oxohexyl]-3-methyl-5-phenylpenta-2,4-dienamide

C18H24N2O3 — CID 42599455

IUPAC(2E,4E)-N-[6-(hydroxyamino)-6-oxohexyl]-3-methyl-5-phenylpenta-2,4-dienamide
SMILESCC(/C=C/c1ccccc1)=C\C(=O)NCCCCCC(=O)NO
InChIInChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+
InChIKeyFIMYEORZUZGRFU-TVYVBBRWSA-N
MW316.40 g/mol
LogP2.83
Rot. Bonds9

About (2E,4E)-N-[6-(hydroxyamino)-6-oxohexyl]-3-methyl-5-phenylpenta-2,4-dienamide

(2E,4E)-N-[6-(hydroxyamino)-6-oxohexyl]-3-methyl-5-phenylpenta-2,4-dienamide (PubChem CID 42599455) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2E,4E)-N-[6-(hydroxyamino)-6-oxohexyl]-3-methyl-5-phenylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[6-(hydroxyamino)-6-oxohexyl]-3-methyl-5-phenylpenta-2,4-dienamide
PubChem CID42599455
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2E,4E)-N-[6-(hydroxyamino)-6-oxohexyl]-3-methyl-5-phenylpenta-2,4-dienamide
SMILESCC(/C=C/c1ccccc1)=C\C(=O)NCCCCCC(=O)NO
InChIInChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+
InChIKeyFIMYEORZUZGRFU-TVYVBBRWSA-N
XLogP2.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[6-(hydroxyamino)-6-oxohexyl]-3-methyl-5-phenylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[6-(hydroxyamino)-6-oxohexyl]-3-methyl-5-phenylpenta-2,4-dienamide (CID 42599455) is (2E,4E)-N-[6-(hydroxyamino)-6-oxohexyl]-3-methyl-5-phenylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[6-(hydroxyamino)-6-oxohexyl]-3-methyl-5-phenylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[6-(hydroxyamino)-6-oxohexyl]-3-methyl-5-phenylpenta-2,4-dienamide is CC(/C=C/c1ccccc1)=C\C(=O)NCCCCCC(=O)NO.
What is the InChIKey of (2E,4E)-N-[6-(hydroxyamino)-6-oxohexyl]-3-methyl-5-phenylpenta-2,4-dienamide?
The InChIKey is FIMYEORZUZGRFU-TVYVBBRWSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+.
What are the key properties of (2E,4E)-N-[6-(hydroxyamino)-6-oxohexyl]-3-methyl-5-phenylpenta-2,4-dienamide?
(2E,4E)-N-[6-(hydroxyamino)-6-oxohexyl]-3-methyl-5-phenylpenta-2,4-dienamide has a molecular weight of 316.40 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[6-(hydroxyamino)-6-oxohexyl]-3-methyl-5-phenylpenta-2,4-dienamide is sourced from PubChem (CID 42599455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).