N-[(4E,6Z,8E)-4-ethylidene-3,8-diphenyldeca-1,6,8-trien-2-yl]hydroxylamine

C24H27NO — CID 145487482

IUPACN-[(4E,6Z,8E)-4-ethylidene-3,8-diphenyldeca-1,6,8-trien-2-yl]hydroxylamine
SMILESC=C(NO)C(/C(=C/C)C/C=C\C(=C/C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO/c1-4-20(22-13-8-6-9-14-22)17-12-18-21(5-2)24(19(3)25-26)23-15-10-7-11-16-23/h4-17,24-26H,3,18H2,1-2H3/b17-12-,20-4+,21-5+
InChIKeyCTRWRKKOAOZXHL-BSERYRPKSA-N
MW345.49 g/mol
LogP6.26
Rot. Bonds8

About N-[(4E,6Z,8E)-4-ethylidene-3,8-diphenyldeca-1,6,8-trien-2-yl]hydroxylamine

N-[(4E,6Z,8E)-4-ethylidene-3,8-diphenyldeca-1,6,8-trien-2-yl]hydroxylamine (PubChem CID 145487482) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(4E,6Z,8E)-4-ethylidene-3,8-diphenyldeca-1,6,8-trien-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[(4E,6Z,8E)-4-ethylidene-3,8-diphenyldeca-1,6,8-trien-2-yl]hydroxylamine
PubChem CID145487482
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC NameN-[(4E,6Z,8E)-4-ethylidene-3,8-diphenyldeca-1,6,8-trien-2-yl]hydroxylamine
SMILESC=C(NO)C(/C(=C/C)C/C=C\C(=C/C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO/c1-4-20(22-13-8-6-9-14-22)17-12-18-21(5-2)24(19(3)25-26)23-15-10-7-11-16-23/h4-17,24-26H,3,18H2,1-2H3/b17-12-,20-4+,21-5+
InChIKeyCTRWRKKOAOZXHL-BSERYRPKSA-N
XLogP6.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 N-[(4E,6Z,8E)-4-ethylidene-3,8-diphenyldeca-1,6,8-trien-2-yl]hydroxylamine?
The IUPAC name of N-[(4E,6Z,8E)-4-ethylidene-3,8-diphenyldeca-1,6,8-trien-2-yl]hydroxylamine (CID 145487482) is N-[(4E,6Z,8E)-4-ethylidene-3,8-diphenyldeca-1,6,8-trien-2-yl]hydroxylamine.
What is the SMILES notation for N-[(4E,6Z,8E)-4-ethylidene-3,8-diphenyldeca-1,6,8-trien-2-yl]hydroxylamine?
The canonical SMILES for N-[(4E,6Z,8E)-4-ethylidene-3,8-diphenyldeca-1,6,8-trien-2-yl]hydroxylamine is C=C(NO)C(/C(=C/C)C/C=C\C(=C/C)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(4E,6Z,8E)-4-ethylidene-3,8-diphenyldeca-1,6,8-trien-2-yl]hydroxylamine?
The InChIKey is CTRWRKKOAOZXHL-BSERYRPKSA-N. The full InChI is InChI=1S/C24H27NO/c1-4-20(22-13-8-6-9-14-22)17-12-18-21(5-2)24(19(3)25-26)23-15-10-7-11-16-23/h4-17,24-26H,3,18H2,1-2H3/b17-12-,20-4+,21-5+.
What are the key properties of N-[(4E,6Z,8E)-4-ethylidene-3,8-diphenyldeca-1,6,8-trien-2-yl]hydroxylamine?
N-[(4E,6Z,8E)-4-ethylidene-3,8-diphenyldeca-1,6,8-trien-2-yl]hydroxylamine has a molecular weight of 345.49 g/mol, XLogP of 6.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E,6Z,8E)-4-ethylidene-3,8-diphenyldeca-1,6,8-trien-2-yl]hydroxylamine is sourced from PubChem (CID 145487482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).