benzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate

C15H23N2O6P — CID 15458754

IUPACbenzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate
SMILESCCOP(=O)(CNC(=O)CNC(=O)OCc1ccccc1)OCC
InChIInChI=1S/C15H23N2O6P/c1-3-22-24(20,23-4-2)12-17-14(18)10-16-15(19)21-11-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyAFMRVMXZAUBIDW-UHFFFAOYSA-N
MW358.33 g/mol
LogP2.25
Rot. Bonds10

About benzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate

benzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate (PubChem CID 15458754) has the molecular formula C15H23N2O6P and a molecular weight of 358.33 g/mol. Its IUPAC name is benzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate
PubChem CID15458754
Molecular FormulaC15H23N2O6P
Molecular Weight358.33 g/mol
Exact Mass358.13
IUPAC Namebenzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate
SMILESCCOP(=O)(CNC(=O)CNC(=O)OCc1ccccc1)OCC
InChIInChI=1S/C15H23N2O6P/c1-3-22-24(20,23-4-2)12-17-14(18)10-16-15(19)21-11-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyAFMRVMXZAUBIDW-UHFFFAOYSA-N
XLogP2.25
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126009561
ethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 89155670
methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate
CID 118927964
(2S)-2-amino-N-(diethoxyphosphorylmethyl)-3-phenylpropanamide
CID 149250728
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-[bis[(4-nitrophenyl)methoxy]phosphorylmethyl]carbamate
CID 14250016
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
1-diethoxyphosphoryl-N-phenylmethoxymethanamine
CID 11832560
ethyl 2-[phenyl-[phenyl-[[2-(phenylmethoxycarbonylamino)acetyl]amino]methyl]phosphoryl]oxyacetate
CID 135065879
benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 101435256
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate (CID 15458754) is benzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate is CCOP(=O)(CNC(=O)CNC(=O)OCc1ccccc1)OCC.
What is the InChIKey of benzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate?
The InChIKey is AFMRVMXZAUBIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N2O6P/c1-3-22-24(20,23-4-2)12-17-14(18)10-16-15(19)21-11-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of benzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate?
benzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate has a molecular weight of 358.33 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 15458754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).