2-[benzyl-[bis(ethylperoxy)phosphorylmethyl]amino]ethanol

C14H24NO6P — CID 54431874

IUPAC2-[benzyl-[bis(ethylperoxy)phosphorylmethyl]amino]ethanol
SMILESCCOOP(=O)(CN(CCO)Cc1ccccc1)OOCC
InChIInChI=1S/C14H24NO6P/c1-3-18-20-22(17,21-19-4-2)13-15(10-11-16)12-14-8-6-5-7-9-14/h5-9,16H,3-4,10-13H2,1-2H3
InChIKeyWIAPMVAEBGKLFY-UHFFFAOYSA-N
MW333.32 g/mol
LogP2.57
Rot. Bonds12

About 2-[benzyl-[bis(ethylperoxy)phosphorylmethyl]amino]ethanol

2-[benzyl-[bis(ethylperoxy)phosphorylmethyl]amino]ethanol (PubChem CID 54431874) has the molecular formula C14H24NO6P and a molecular weight of 333.32 g/mol. Its IUPAC name is 2-[benzyl-[bis(ethylperoxy)phosphorylmethyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[bis(ethylperoxy)phosphorylmethyl]amino]ethanol
PubChem CID54431874
Molecular FormulaC14H24NO6P
Molecular Weight333.32 g/mol
Exact Mass333.13
IUPAC Name2-[benzyl-[bis(ethylperoxy)phosphorylmethyl]amino]ethanol
SMILESCCOOP(=O)(CN(CCO)Cc1ccccc1)OOCC
InChIInChI=1S/C14H24NO6P/c1-3-18-20-22(17,21-19-4-2)13-15(10-11-16)12-14-8-6-5-7-9-14/h5-9,16H,3-4,10-13H2,1-2H3
InChIKeyWIAPMVAEBGKLFY-UHFFFAOYSA-N
XLogP2.57
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide
CID 111110287
2-[benzyl(2-hydroxyethyl)amino]-N-methyl-N-phenylacetamide
CID 110881016
1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395191
2-[benzyl(nonyl)amino]ethanol
CID 63469962
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
CID 67016805
2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
2-methylpropyl 2-[benzyl(2-hydroxyethyl)amino]acetate
CID 91060216
N-benzyl-N-ethyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685771
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
2-[benzyl(2-bromoprop-2-enyl)amino]ethanol
CID 62115476

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[bis(ethylperoxy)phosphorylmethyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[bis(ethylperoxy)phosphorylmethyl]amino]ethanol (CID 54431874) is 2-[benzyl-[bis(ethylperoxy)phosphorylmethyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[bis(ethylperoxy)phosphorylmethyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[bis(ethylperoxy)phosphorylmethyl]amino]ethanol is CCOOP(=O)(CN(CCO)Cc1ccccc1)OOCC.
What is the InChIKey of 2-[benzyl-[bis(ethylperoxy)phosphorylmethyl]amino]ethanol?
The InChIKey is WIAPMVAEBGKLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24NO6P/c1-3-18-20-22(17,21-19-4-2)13-15(10-11-16)12-14-8-6-5-7-9-14/h5-9,16H,3-4,10-13H2,1-2H3.
What are the key properties of 2-[benzyl-[bis(ethylperoxy)phosphorylmethyl]amino]ethanol?
2-[benzyl-[bis(ethylperoxy)phosphorylmethyl]amino]ethanol has a molecular weight of 333.32 g/mol, XLogP of 2.57, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[bis(ethylperoxy)phosphorylmethyl]amino]ethanol is sourced from PubChem (CID 54431874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).