N-[1-[4-[1-(hydroxyamino)-3-nitroso-3-phenylpropyl]phenyl]-3-nitroso-3-phenylpropyl]hydroxylamine

C24H26N4O4 — CID 91289866

IUPACN-[1-[4-[1-(hydroxyamino)-3-nitroso-3-phenylpropyl]phenyl]-3-nitroso-3-phenylpropyl]hydroxylamine
SMILESO=NC(CC(NO)c1ccc(C(CC(N=O)c2ccccc2)NO)cc1)c1ccccc1
InChIInChI=1S/C24H26N4O4/c29-25-21(17-7-3-1-4-8-17)15-23(27-31)19-11-13-20(14-12-19)24(28-32)16-22(26-30)18-9-5-2-6-10-18/h1-14,21-24,27-28,31-32H,15-16H2
InChIKeyMJOMSFCNMSCZTQ-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.52
Rot. Bonds12

About N-[1-[4-[1-(hydroxyamino)-3-nitroso-3-phenylpropyl]phenyl]-3-nitroso-3-phenylpropyl]hydroxylamine

N-[1-[4-[1-(hydroxyamino)-3-nitroso-3-phenylpropyl]phenyl]-3-nitroso-3-phenylpropyl]hydroxylamine (PubChem CID 91289866) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[1-[4-[1-(hydroxyamino)-3-nitroso-3-phenylpropyl]phenyl]-3-nitroso-3-phenylpropyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-[1-(hydroxyamino)-3-nitroso-3-phenylpropyl]phenyl]-3-nitroso-3-phenylpropyl]hydroxylamine
PubChem CID91289866
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-[1-[4-[1-(hydroxyamino)-3-nitroso-3-phenylpropyl]phenyl]-3-nitroso-3-phenylpropyl]hydroxylamine
SMILESO=NC(CC(NO)c1ccc(C(CC(N=O)c2ccccc2)NO)cc1)c1ccccc1
InChIInChI=1S/C24H26N4O4/c29-25-21(17-7-3-1-4-8-17)15-23(27-31)19-11-13-20(14-12-19)24(28-32)16-22(26-30)18-9-5-2-6-10-18/h1-14,21-24,27-28,31-32H,15-16H2
InChIKeyMJOMSFCNMSCZTQ-UHFFFAOYSA-N
XLogP5.52
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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-[1-(hydroxyamino)-3-nitroso-3-phenylpropyl]phenyl]-3-nitroso-3-phenylpropyl]hydroxylamine?
The IUPAC name of N-[1-[4-[1-(hydroxyamino)-3-nitroso-3-phenylpropyl]phenyl]-3-nitroso-3-phenylpropyl]hydroxylamine (CID 91289866) is N-[1-[4-[1-(hydroxyamino)-3-nitroso-3-phenylpropyl]phenyl]-3-nitroso-3-phenylpropyl]hydroxylamine.
What is the SMILES notation for N-[1-[4-[1-(hydroxyamino)-3-nitroso-3-phenylpropyl]phenyl]-3-nitroso-3-phenylpropyl]hydroxylamine?
The canonical SMILES for N-[1-[4-[1-(hydroxyamino)-3-nitroso-3-phenylpropyl]phenyl]-3-nitroso-3-phenylpropyl]hydroxylamine is O=NC(CC(NO)c1ccc(C(CC(N=O)c2ccccc2)NO)cc1)c1ccccc1.
What is the InChIKey of N-[1-[4-[1-(hydroxyamino)-3-nitroso-3-phenylpropyl]phenyl]-3-nitroso-3-phenylpropyl]hydroxylamine?
The InChIKey is MJOMSFCNMSCZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c29-25-21(17-7-3-1-4-8-17)15-23(27-31)19-11-13-20(14-12-19)24(28-32)16-22(26-30)18-9-5-2-6-10-18/h1-14,21-24,27-28,31-32H,15-16H2.
What are the key properties of N-[1-[4-[1-(hydroxyamino)-3-nitroso-3-phenylpropyl]phenyl]-3-nitroso-3-phenylpropyl]hydroxylamine?
N-[1-[4-[1-(hydroxyamino)-3-nitroso-3-phenylpropyl]phenyl]-3-nitroso-3-phenylpropyl]hydroxylamine has a molecular weight of 434.50 g/mol, XLogP of 5.52, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-(hydroxyamino)-3-nitroso-3-phenylpropyl]phenyl]-3-nitroso-3-phenylpropyl]hydroxylamine is sourced from PubChem (CID 91289866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).