N-[3-phenyl-3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine

C25H27NO — CID 89269208

IUPACN-[3-phenyl-3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine
SMILESC=C(NO)C(c1ccccc1)c1ccc(CCCCc2ccccc2)cc1
InChIInChI=1S/C25H27NO/c1-20(26-27)25(23-14-6-3-7-15-23)24-18-16-22(17-19-24)13-9-8-12-21-10-4-2-5-11-21/h2-7,10-11,14-19,25-27H,1,8-9,12-13H2
InChIKeyUPWAUOZNSNKXPU-UHFFFAOYSA-N
MW357.50 g/mol
LogP5.88
Rot. Bonds9

About N-[3-phenyl-3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine

N-[3-phenyl-3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine (PubChem CID 89269208) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[3-phenyl-3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[3-phenyl-3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine
PubChem CID89269208
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC NameN-[3-phenyl-3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine
SMILESC=C(NO)C(c1ccccc1)c1ccc(CCCCc2ccccc2)cc1
InChIInChI=1S/C25H27NO/c1-20(26-27)25(23-14-6-3-7-15-23)24-18-16-22(17-19-24)13-9-8-12-21-10-4-2-5-11-21/h2-7,10-11,14-19,25-27H,1,8-9,12-13H2
InChIKeyUPWAUOZNSNKXPU-UHFFFAOYSA-N
XLogP5.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.88
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-[3-phenyl-3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine?
The IUPAC name of N-[3-phenyl-3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine (CID 89269208) is N-[3-phenyl-3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine.
What is the SMILES notation for N-[3-phenyl-3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine?
The canonical SMILES for N-[3-phenyl-3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine is C=C(NO)C(c1ccccc1)c1ccc(CCCCc2ccccc2)cc1.
What is the InChIKey of N-[3-phenyl-3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine?
The InChIKey is UPWAUOZNSNKXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-20(26-27)25(23-14-6-3-7-15-23)24-18-16-22(17-19-24)13-9-8-12-21-10-4-2-5-11-21/h2-7,10-11,14-19,25-27H,1,8-9,12-13H2.
What are the key properties of N-[3-phenyl-3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine?
N-[3-phenyl-3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine has a molecular weight of 357.50 g/mol, XLogP of 5.88, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-phenyl-3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine is sourced from PubChem (CID 89269208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).