tert-butyl N-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]carbamate

C18H30NO6P — CID 86752191

IUPACtert-butyl N-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]carbamate
SMILESCCOP(=O)(COc1ccc(CCNC(=O)OC(C)(C)C)cc1)OCC
InChIInChI=1S/C18H30NO6P/c1-6-23-26(21,24-7-2)14-22-16-10-8-15(9-11-16)12-13-19-17(20)25-18(3,4)5/h8-11H,6-7,12-14H2,1-5H3,(H,19,20)
InChIKeyUACIQQYRVGEUQK-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.36
Rot. Bonds10

About tert-butyl N-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]carbamate

tert-butyl N-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]carbamate (PubChem CID 86752191) has the molecular formula C18H30NO6P and a molecular weight of 387.41 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]carbamate
PubChem CID86752191
Molecular FormulaC18H30NO6P
Molecular Weight387.41 g/mol
Exact Mass387.18
IUPAC Nametert-butyl N-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]carbamate
SMILESCCOP(=O)(COc1ccc(CCNC(=O)OC(C)(C)C)cc1)OCC
InChIInChI=1S/C18H30NO6P/c1-6-23-26(21,24-7-2)14-22-16-10-8-15(9-11-16)12-13-19-17(20)25-18(3,4)5/h8-11H,6-7,12-14H2,1-5H3,(H,19,20)
InChIKeyUACIQQYRVGEUQK-UHFFFAOYSA-N
XLogP4.36
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenoxy]acetate
CID 59456133
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[2-(4-prop-1-ynylphenyl)ethyl]carbamate
CID 126716853
tert-butyl N-[2-[4-(3-hydroxypropyl)phenoxy]ethyl]carbamate
CID 162639917
methyl 3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propanoate
CID 141484453
tert-butyl N-[2-[4-diethoxyphosphoryloxy-3-(hydroxymethyl)phenyl]ethyl]carbamate
CID 118335151
tert-butyl N-[4-[4-(2-hydroxyethoxy)phenyl]butyl]carbamate
CID 11500545
tert-butyl N-[2-[4-(hydroxymethyl)phenoxy]ethyl]carbamate
CID 122451762
(2R)-2-[[4-(diethoxyphosphorylmethyl)phenyl]methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 15384254
tert-butyl N-[2-[2-(4-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864604

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]carbamate (CID 86752191) is tert-butyl N-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]carbamate is CCOP(=O)(COc1ccc(CCNC(=O)OC(C)(C)C)cc1)OCC.
What is the InChIKey of tert-butyl N-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]carbamate?
The InChIKey is UACIQQYRVGEUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30NO6P/c1-6-23-26(21,24-7-2)14-22-16-10-8-15(9-11-16)12-13-19-17(20)25-18(3,4)5/h8-11H,6-7,12-14H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]carbamate?
tert-butyl N-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]carbamate has a molecular weight of 387.41 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]carbamate is sourced from PubChem (CID 86752191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).