N-[1-[4-(2-hydroxy-1-phenylpropan-2-yl)phenyl]ethenyl]nitrous amide

C17H18N2O2 — CID 174165636

IUPACN-[1-[4-(2-hydroxy-1-phenylpropan-2-yl)phenyl]ethenyl]nitrous amide
SMILESC=C(NN=O)c1ccc(C(C)(O)Cc2ccccc2)cc1
InChIInChI=1S/C17H18N2O2/c1-13(18-19-21)15-8-10-16(11-9-15)17(2,20)12-14-6-4-3-5-7-14/h3-11,20H,1,12H2,2H3,(H,18,21)
InChIKeyYBGFHKGRLAPIBA-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.38
Rot. Bonds6

About N-[1-[4-(2-hydroxy-1-phenylpropan-2-yl)phenyl]ethenyl]nitrous amide

N-[1-[4-(2-hydroxy-1-phenylpropan-2-yl)phenyl]ethenyl]nitrous amide (PubChem CID 174165636) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[1-[4-(2-hydroxy-1-phenylpropan-2-yl)phenyl]ethenyl]nitrous amide.

Molecular Properties

Compound NameN-[1-[4-(2-hydroxy-1-phenylpropan-2-yl)phenyl]ethenyl]nitrous amide
PubChem CID174165636
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[1-[4-(2-hydroxy-1-phenylpropan-2-yl)phenyl]ethenyl]nitrous amide
SMILESC=C(NN=O)c1ccc(C(C)(O)Cc2ccccc2)cc1
InChIInChI=1S/C17H18N2O2/c1-13(18-19-21)15-8-10-16(11-9-15)17(2,20)12-14-6-4-3-5-7-14/h3-11,20H,1,12H2,2H3,(H,18,21)
InChIKeyYBGFHKGRLAPIBA-UHFFFAOYSA-N
XLogP3.38
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', '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-[1-[4-(2-hydroxy-1-phenylpropan-2-yl)phenyl]ethenyl]nitrous amide?
The IUPAC name of N-[1-[4-(2-hydroxy-1-phenylpropan-2-yl)phenyl]ethenyl]nitrous amide (CID 174165636) is N-[1-[4-(2-hydroxy-1-phenylpropan-2-yl)phenyl]ethenyl]nitrous amide.
What is the SMILES notation for N-[1-[4-(2-hydroxy-1-phenylpropan-2-yl)phenyl]ethenyl]nitrous amide?
The canonical SMILES for N-[1-[4-(2-hydroxy-1-phenylpropan-2-yl)phenyl]ethenyl]nitrous amide is C=C(NN=O)c1ccc(C(C)(O)Cc2ccccc2)cc1.
What is the InChIKey of N-[1-[4-(2-hydroxy-1-phenylpropan-2-yl)phenyl]ethenyl]nitrous amide?
The InChIKey is YBGFHKGRLAPIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13(18-19-21)15-8-10-16(11-9-15)17(2,20)12-14-6-4-3-5-7-14/h3-11,20H,1,12H2,2H3,(H,18,21).
What are the key properties of N-[1-[4-(2-hydroxy-1-phenylpropan-2-yl)phenyl]ethenyl]nitrous amide?
N-[1-[4-(2-hydroxy-1-phenylpropan-2-yl)phenyl]ethenyl]nitrous amide has a molecular weight of 282.34 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-hydroxy-1-phenylpropan-2-yl)phenyl]ethenyl]nitrous amide is sourced from PubChem (CID 174165636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).