N-[7-[4-(4-ethylphenyl)phenyl]hept-1-en-2-yl]hydroxylamine

C21H27NO — CID 142052331

IUPACN-[7-[4-(4-ethylphenyl)phenyl]hept-1-en-2-yl]hydroxylamine
SMILESC=C(CCCCCc1ccc(-c2ccc(CC)cc2)cc1)NO
InChIInChI=1S/C21H27NO/c1-3-18-9-13-20(14-10-18)21-15-11-19(12-16-21)8-6-4-5-7-17(2)22-23/h9-16,22-23H,2-8H2,1H3
InChIKeyGESUMIFEJXOMHF-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.51
Rot. Bonds9

About N-[7-[4-(4-ethylphenyl)phenyl]hept-1-en-2-yl]hydroxylamine

N-[7-[4-(4-ethylphenyl)phenyl]hept-1-en-2-yl]hydroxylamine (PubChem CID 142052331) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[7-[4-(4-ethylphenyl)phenyl]hept-1-en-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[7-[4-(4-ethylphenyl)phenyl]hept-1-en-2-yl]hydroxylamine
PubChem CID142052331
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC NameN-[7-[4-(4-ethylphenyl)phenyl]hept-1-en-2-yl]hydroxylamine
SMILESC=C(CCCCCc1ccc(-c2ccc(CC)cc2)cc1)NO
InChIInChI=1S/C21H27NO/c1-3-18-9-13-20(14-10-18)21-15-11-19(12-16-21)8-6-4-5-7-17(2)22-23/h9-16,22-23H,2-8H2,1H3
InChIKeyGESUMIFEJXOMHF-UHFFFAOYSA-N
XLogP5.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[7-[4-(4-ethylphenyl)phenyl]hept-1-en-2-yl]hydroxylamine?
The IUPAC name of N-[7-[4-(4-ethylphenyl)phenyl]hept-1-en-2-yl]hydroxylamine (CID 142052331) is N-[7-[4-(4-ethylphenyl)phenyl]hept-1-en-2-yl]hydroxylamine.
What is the SMILES notation for N-[7-[4-(4-ethylphenyl)phenyl]hept-1-en-2-yl]hydroxylamine?
The canonical SMILES for N-[7-[4-(4-ethylphenyl)phenyl]hept-1-en-2-yl]hydroxylamine is C=C(CCCCCc1ccc(-c2ccc(CC)cc2)cc1)NO.
What is the InChIKey of N-[7-[4-(4-ethylphenyl)phenyl]hept-1-en-2-yl]hydroxylamine?
The InChIKey is GESUMIFEJXOMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-3-18-9-13-20(14-10-18)21-15-11-19(12-16-21)8-6-4-5-7-17(2)22-23/h9-16,22-23H,2-8H2,1H3.
What are the key properties of N-[7-[4-(4-ethylphenyl)phenyl]hept-1-en-2-yl]hydroxylamine?
N-[7-[4-(4-ethylphenyl)phenyl]hept-1-en-2-yl]hydroxylamine has a molecular weight of 309.45 g/mol, XLogP of 5.51, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-(4-ethylphenyl)phenyl]hept-1-en-2-yl]hydroxylamine is sourced from PubChem (CID 142052331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).