(NE)-N-(1-anilino-1-diphenylphosphorylpropan-2-ylidene)hydroxylamine

C21H21N2O2P — CID 16741763

IUPAC(NE)-N-(1-anilino-1-diphenylphosphorylpropan-2-ylidene)hydroxylamine
SMILESC/C(=N\O)C(Nc1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N2O2P/c1-17(23-24)21(22-18-11-5-2-6-12-18)26(25,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-22,24H,1H3/b23-17+
InChIKeySMTWRBABQIIFIW-HAVVHWLPSA-N
MW364.39 g/mol
LogP4.29
Rot. Bonds6

About (NE)-N-(1-anilino-1-diphenylphosphorylpropan-2-ylidene)hydroxylamine

(NE)-N-(1-anilino-1-diphenylphosphorylpropan-2-ylidene)hydroxylamine (PubChem CID 16741763) has the molecular formula C21H21N2O2P and a molecular weight of 364.39 g/mol. Its IUPAC name is (NE)-N-(1-anilino-1-diphenylphosphorylpropan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-anilino-1-diphenylphosphorylpropan-2-ylidene)hydroxylamine
PubChem CID16741763
Molecular FormulaC21H21N2O2P
Molecular Weight364.39 g/mol
Exact Mass364.13
IUPAC Name(NE)-N-(1-anilino-1-diphenylphosphorylpropan-2-ylidene)hydroxylamine
SMILESC/C(=N\O)C(Nc1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N2O2P/c1-17(23-24)21(22-18-11-5-2-6-12-18)26(25,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-22,24H,1H3/b23-17+
InChIKeySMTWRBABQIIFIW-HAVVHWLPSA-N
XLogP4.29
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[[(2E)-1-diphenylphosphoryl-2-hydroxyiminopropyl]amino]-3-phenylpropanoate
CID 16741928
(NZ)-N-(1-diphenylphosphorylpropan-2-ylidene)hydroxylamine
CID 102093434
4-diphenylphosphorylpentan-2-one
CID 13202508
2-anilino-N'-hydroxypropanimidamide
CID 77025272
methyl (2R)-2-diphenylphosphoryl-2-hydroxyacetate
CID 819526
3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid
CID 169084705
(2Z,3E)-2-hydroxyimino-3-oxidoimino-N-phenylbutanamide
CID 135764917
N-[bis(diphenylphosphoryl)methyl]-2,6-dimethylaniline
CID 11627991
2-anilino-1-phenylpropan-1-one
CID 577481
(2S)-2-anilino-3-methylbutanoic acid;hydrochloride
CID 70534488
nitrous acid;N-phenylacetamide
CID 174797407
ethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate
CID 3090786

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-anilino-1-diphenylphosphorylpropan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-anilino-1-diphenylphosphorylpropan-2-ylidene)hydroxylamine (CID 16741763) is (NE)-N-(1-anilino-1-diphenylphosphorylpropan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-anilino-1-diphenylphosphorylpropan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-anilino-1-diphenylphosphorylpropan-2-ylidene)hydroxylamine is C/C(=N\O)C(Nc1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (NE)-N-(1-anilino-1-diphenylphosphorylpropan-2-ylidene)hydroxylamine?
The InChIKey is SMTWRBABQIIFIW-HAVVHWLPSA-N. The full InChI is InChI=1S/C21H21N2O2P/c1-17(23-24)21(22-18-11-5-2-6-12-18)26(25,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-22,24H,1H3/b23-17+.
What are the key properties of (NE)-N-(1-anilino-1-diphenylphosphorylpropan-2-ylidene)hydroxylamine?
(NE)-N-(1-anilino-1-diphenylphosphorylpropan-2-ylidene)hydroxylamine has a molecular weight of 364.39 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-anilino-1-diphenylphosphorylpropan-2-ylidene)hydroxylamine is sourced from PubChem (CID 16741763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).