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

C19H23NO — CID 88936696

IUPACN-[3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine
SMILESC=C(Cc1ccc(CCCCc2ccccc2)cc1)NO
InChIInChI=1S/C19H23NO/c1-16(20-21)15-19-13-11-18(12-14-19)10-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-14,20-21H,1,5-6,9-10,15H2
InChIKeyUYAKLIOHDZYECG-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.29
Rot. Bonds8

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

N-[3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine (PubChem CID 88936696) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine
PubChem CID88936696
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine
SMILESC=C(Cc1ccc(CCCCc2ccccc2)cc1)NO
InChIInChI=1S/C19H23NO/c1-16(20-21)15-19-13-11-18(12-14-19)10-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-14,20-21H,1,5-6,9-10,15H2
InChIKeyUYAKLIOHDZYECG-UHFFFAOYSA-N
XLogP4.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.29
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-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine?
The IUPAC name of N-[3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine (CID 88936696) is N-[3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine.
What is the SMILES notation for N-[3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine?
The canonical SMILES for N-[3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine is C=C(Cc1ccc(CCCCc2ccccc2)cc1)NO.
What is the InChIKey of N-[3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine?
The InChIKey is UYAKLIOHDZYECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-16(20-21)15-19-13-11-18(12-14-19)10-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-14,20-21H,1,5-6,9-10,15H2.
What are the key properties of N-[3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine?
N-[3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine has a molecular weight of 281.40 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-phenylbutyl)phenyl]prop-1-en-2-yl]hydroxylamine is sourced from PubChem (CID 88936696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).