N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine

C23H26NO2P — CID 175479837

IUPACN-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine
SMILESCCCC(N(O)Cc1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26NO2P/c1-2-12-23(24(25)19-20-13-6-3-7-14-20)27(26,21-15-8-4-9-16-21)22-17-10-5-11-18-22/h3-11,13-18,23,25H,2,12,19H2,1H3
InChIKeyDPBNEOIHILFPOS-UHFFFAOYSA-N
MW379.44 g/mol
LogP5.02
Rot. Bonds8

About N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine

N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine (PubChem CID 175479837) has the molecular formula C23H26NO2P and a molecular weight of 379.44 g/mol. Its IUPAC name is N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine
PubChem CID175479837
Molecular FormulaC23H26NO2P
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine
SMILESCCCC(N(O)Cc1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26NO2P/c1-2-12-23(24(25)19-20-13-6-3-7-14-20)27(26,21-15-8-4-9-16-21)22-17-10-5-11-18-22/h3-11,13-18,23,25H,2,12,19H2,1H3
InChIKeyDPBNEOIHILFPOS-UHFFFAOYSA-N
XLogP5.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[(1R)-1-phenylethyl]hydroxylamine
CID 15778138
(2R)-N-diphenylphosphoryl-1-phenylpentan-2-amine
CID 14934133
2-(1-diphenylphosphorylbutyl)propanedinitrile
CID 71423566
[(1S)-1-diphenylphosphorylbutyl]-ethyl-diphenylphosphanium
CID 98526281
N-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine
CID 10059288
(2-diphenylphosphoryl-3-phenylpropyl)benzene
CID 162399003
(2S,3R,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol
CID 15315874
N-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine
CID 101462784
(2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol
CID 15315873
ethyl 2-diphenylphosphorylbutanoate
CID 3289808
(3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol
CID 98040519
4-(1-diphenylphosphorylbutyl)morpholine
CID 86180321

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine?
The IUPAC name of N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine (CID 175479837) is N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine.
What is the SMILES notation for N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine?
The canonical SMILES for N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine is CCCC(N(O)Cc1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine?
The InChIKey is DPBNEOIHILFPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26NO2P/c1-2-12-23(24(25)19-20-13-6-3-7-14-20)27(26,21-15-8-4-9-16-21)22-17-10-5-11-18-22/h3-11,13-18,23,25H,2,12,19H2,1H3.
What are the key properties of N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine?
N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine has a molecular weight of 379.44 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine is sourced from PubChem (CID 175479837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).