tert-butyl N-[(Z)-1-diethoxyphosphoryl-2-(furan-2-yl)ethenyl]carbamate

C15H24NO6P — CID 11484744

IUPACtert-butyl N-[(Z)-1-diethoxyphosphoryl-2-(furan-2-yl)ethenyl]carbamate
SMILESCCOP(=O)(OCC)/C(=C\c1ccco1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24NO6P/c1-6-20-23(18,21-7-2)13(11-12-9-8-10-19-12)16-14(17)22-15(3,4)5/h8-11H,6-7H2,1-5H3,(H,16,17)/b13-11-
InChIKeyQSXYLECQRULSQT-QBFSEMIESA-N
MW345.33 g/mol
LogP4.37
Rot. Bonds7

About tert-butyl N-[(Z)-1-diethoxyphosphoryl-2-(furan-2-yl)ethenyl]carbamate

tert-butyl N-[(Z)-1-diethoxyphosphoryl-2-(furan-2-yl)ethenyl]carbamate (PubChem CID 11484744) has the molecular formula C15H24NO6P and a molecular weight of 345.33 g/mol. Its IUPAC name is tert-butyl N-[(Z)-1-diethoxyphosphoryl-2-(furan-2-yl)ethenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-1-diethoxyphosphoryl-2-(furan-2-yl)ethenyl]carbamate
PubChem CID11484744
Molecular FormulaC15H24NO6P
Molecular Weight345.33 g/mol
Exact Mass345.13
IUPAC Nametert-butyl N-[(Z)-1-diethoxyphosphoryl-2-(furan-2-yl)ethenyl]carbamate
SMILESCCOP(=O)(OCC)/C(=C\c1ccco1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24NO6P/c1-6-20-23(18,21-7-2)13(11-12-9-8-10-19-12)16-14(17)22-15(3,4)5/h8-11H,6-7H2,1-5H3,(H,16,17)/b13-11-
InChIKeyQSXYLECQRULSQT-QBFSEMIESA-N
XLogP4.37
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 54.37
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

(E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine
CID 12515128
tert-butyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
CID 4876281
tert-butyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 2543493
3-ethoxycarbonyl-4-(furan-2-yl)but-3-enoic acid
CID 71362609
tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate
CID 45091867
tert-butyl (E)-4-(furan-2-yl)but-3-enoate
CID 102382884
methyl (E,2S)-5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 71501506
ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5337852
(E)-3-diethoxyphosphoryl-3-(furan-2-yl)prop-2-enoic acid
CID 156598408
(Z)-3-(furan-2-yl)-2-methoxyprop-2-enal
CID 102492012
tert-butyl N-[(1S)-1-diethoxyphosphoryl-2-phenylethyl]carbamate
CID 10570312
tert-butyl N-(furan-3-carbonyl)carbamate
CID 176560288

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-1-diethoxyphosphoryl-2-(furan-2-yl)ethenyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-1-diethoxyphosphoryl-2-(furan-2-yl)ethenyl]carbamate (CID 11484744) is tert-butyl N-[(Z)-1-diethoxyphosphoryl-2-(furan-2-yl)ethenyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-1-diethoxyphosphoryl-2-(furan-2-yl)ethenyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-1-diethoxyphosphoryl-2-(furan-2-yl)ethenyl]carbamate is CCOP(=O)(OCC)/C(=C\c1ccco1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-1-diethoxyphosphoryl-2-(furan-2-yl)ethenyl]carbamate?
The InChIKey is QSXYLECQRULSQT-QBFSEMIESA-N. The full InChI is InChI=1S/C15H24NO6P/c1-6-20-23(18,21-7-2)13(11-12-9-8-10-19-12)16-14(17)22-15(3,4)5/h8-11H,6-7H2,1-5H3,(H,16,17)/b13-11-.
What are the key properties of tert-butyl N-[(Z)-1-diethoxyphosphoryl-2-(furan-2-yl)ethenyl]carbamate?
tert-butyl N-[(Z)-1-diethoxyphosphoryl-2-(furan-2-yl)ethenyl]carbamate has a molecular weight of 345.33 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-1-diethoxyphosphoryl-2-(furan-2-yl)ethenyl]carbamate is sourced from PubChem (CID 11484744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).