N-tert-butyl-N-[[(2-methoxyphenyl)-phenylphosphoryl]methyl]nitrous amide

C18H23N2O3P — CID 132571794

IUPACN-tert-butyl-N-[[(2-methoxyphenyl)-phenylphosphoryl]methyl]nitrous amide
SMILESCOc1ccccc1P(=O)(CN(N=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H23N2O3P/c1-18(2,3)20(19-21)14-24(22,15-10-6-5-7-11-15)17-13-9-8-12-16(17)23-4/h5-13H,14H2,1-4H3
InChIKeyWHEJSLQJZDLCTD-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.75
Rot. Bonds6

About N-tert-butyl-N-[[(2-methoxyphenyl)-phenylphosphoryl]methyl]nitrous amide

N-tert-butyl-N-[[(2-methoxyphenyl)-phenylphosphoryl]methyl]nitrous amide (PubChem CID 132571794) has the molecular formula C18H23N2O3P and a molecular weight of 346.37 g/mol. Its IUPAC name is N-tert-butyl-N-[[(2-methoxyphenyl)-phenylphosphoryl]methyl]nitrous amide.

Molecular Properties

Compound NameN-tert-butyl-N-[[(2-methoxyphenyl)-phenylphosphoryl]methyl]nitrous amide
PubChem CID132571794
Molecular FormulaC18H23N2O3P
Molecular Weight346.37 g/mol
Exact Mass346.14
IUPAC NameN-tert-butyl-N-[[(2-methoxyphenyl)-phenylphosphoryl]methyl]nitrous amide
SMILESCOc1ccccc1P(=O)(CN(N=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C18H23N2O3P/c1-18(2,3)20(19-21)14-24(22,15-10-6-5-7-11-15)17-13-9-8-12-16(17)23-4/h5-13H,14H2,1-4H3
InChIKeyWHEJSLQJZDLCTD-UHFFFAOYSA-N
XLogP3.75
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[[(2-methoxyphenyl)-phenylphosphoryl]methyl]nitrous amide?
The IUPAC name of N-tert-butyl-N-[[(2-methoxyphenyl)-phenylphosphoryl]methyl]nitrous amide (CID 132571794) is N-tert-butyl-N-[[(2-methoxyphenyl)-phenylphosphoryl]methyl]nitrous amide.
What is the SMILES notation for N-tert-butyl-N-[[(2-methoxyphenyl)-phenylphosphoryl]methyl]nitrous amide?
The canonical SMILES for N-tert-butyl-N-[[(2-methoxyphenyl)-phenylphosphoryl]methyl]nitrous amide is COc1ccccc1P(=O)(CN(N=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of N-tert-butyl-N-[[(2-methoxyphenyl)-phenylphosphoryl]methyl]nitrous amide?
The InChIKey is WHEJSLQJZDLCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N2O3P/c1-18(2,3)20(19-21)14-24(22,15-10-6-5-7-11-15)17-13-9-8-12-16(17)23-4/h5-13H,14H2,1-4H3.
What are the key properties of N-tert-butyl-N-[[(2-methoxyphenyl)-phenylphosphoryl]methyl]nitrous amide?
N-tert-butyl-N-[[(2-methoxyphenyl)-phenylphosphoryl]methyl]nitrous amide has a molecular weight of 346.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[[(2-methoxyphenyl)-phenylphosphoryl]methyl]nitrous amide is sourced from PubChem (CID 132571794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).