N-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine

C24H50NO4P — CID 169084703

IUPACN-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine
SMILESCCCCCCCCCCOP(=O)(OCCCCCCCCCC)C(C)C(C)=NO
InChIInChI=1S/C24H50NO4P/c1-5-7-9-11-13-15-17-19-21-28-30(27,24(4)23(3)25-26)29-22-20-18-16-14-12-10-8-6-2/h24,26H,5-22H2,1-4H3
InChIKeyMRZROGLAWWANSR-UHFFFAOYSA-N
MW447.64 g/mol
LogP8.73
Rot. Bonds22

About N-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine

N-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine (PubChem CID 169084703) has the molecular formula C24H50NO4P and a molecular weight of 447.64 g/mol. Its IUPAC name is N-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine
PubChem CID169084703
Molecular FormulaC24H50NO4P
Molecular Weight447.64 g/mol
Exact Mass447.35
IUPAC NameN-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine
SMILESCCCCCCCCCCOP(=O)(OCCCCCCCCCC)C(C)C(C)=NO
InChIInChI=1S/C24H50NO4P/c1-5-7-9-11-13-15-17-19-21-28-30(27,24(4)23(3)25-26)29-22-20-18-16-14-12-10-8-6-2/h24,26H,5-22H2,1-4H3
InChIKeyMRZROGLAWWANSR-UHFFFAOYSA-N
XLogP8.73
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.64
LogP ≤ 58.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-dihexoxyphosphoryl-N,N-dipropylpropanamide
CID 4983342
dibutoxyphosphorylmethanediol
CID 87672065
1-dichlorophosphoryloxyoctadecane
CID 88757359
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
octatriacontyl dihydrogen phosphate
CID 140979287
1-[butoxy(propan-2-yl)phosphoryl]oxybutane
CID 580343
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
hexadecyl hexyl hydrogen phosphate
CID 15132676
dodecyl dioctyl phosphate
CID 57134013

Frequently Asked Questions

What is the IUPAC name of N-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine?
The IUPAC name of N-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine (CID 169084703) is N-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine is CCCCCCCCCCOP(=O)(OCCCCCCCCCC)C(C)C(C)=NO.
What is the InChIKey of N-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine?
The InChIKey is MRZROGLAWWANSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50NO4P/c1-5-7-9-11-13-15-17-19-21-28-30(27,24(4)23(3)25-26)29-22-20-18-16-14-12-10-8-6-2/h24,26H,5-22H2,1-4H3.
What are the key properties of N-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine?
N-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine has a molecular weight of 447.64 g/mol, XLogP of 8.73, 22 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 169084703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).