tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tributylstannylbut-2-enyl]carbamate

C26H52N2O4Sn — CID 177390439

IUPACtert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tributylstannylbut-2-enyl]carbamate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H25N2O4.3C4H9.Sn/c1-13(2,3)19-11(17)15-9-7-8-10-16-12(18)20-14(4,5)6;3*1-3-4-2;/h7H,9-10H2,1-6H3,(H,15,17)(H,16,18);3*1,3-4H2,2H3;
InChIKeyTXPMSGCAMDYQDY-UHFFFAOYSA-N
MW575.42 g/mol
LogP7.35
Rot. Bonds14

About tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tributylstannylbut-2-enyl]carbamate

tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tributylstannylbut-2-enyl]carbamate (PubChem CID 177390439) has the molecular formula C26H52N2O4Sn and a molecular weight of 575.42 g/mol. Its IUPAC name is tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tributylstannylbut-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tributylstannylbut-2-enyl]carbamate
PubChem CID177390439
Molecular FormulaC26H52N2O4Sn
Molecular Weight575.42 g/mol
Exact Mass576.29
IUPAC Nametert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tributylstannylbut-2-enyl]carbamate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H25N2O4.3C4H9.Sn/c1-13(2,3)19-11(17)15-9-7-8-10-16-12(18)20-14(4,5)6;3*1-3-4-2;/h7H,9-10H2,1-6H3,(H,15,17)(H,16,18);3*1,3-4H2,2H3;
InChIKeyTXPMSGCAMDYQDY-UHFFFAOYSA-N
XLogP7.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.42
LogP ≤ 57.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tributylstannylbut-2-enyl]carbamate with MolForge

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Related Compounds

tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
(2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]hexanoic acid
CID 131721921
2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoic acid
CID 162625001
2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoic acid
CID 154272806
hexadecyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 54136324
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-(3-fluoro-4-hydroxybut-2-enyl)carbamate
CID 71437553
methyl (E)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 14539281
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
tert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate
CID 135045437
ethane-1,2-diol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 175289352

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tributylstannylbut-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tributylstannylbut-2-enyl]carbamate (CID 177390439) is tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tributylstannylbut-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tributylstannylbut-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tributylstannylbut-2-enyl]carbamate is CCCC[Sn](CCCC)(CCCC)/C(=C\CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tributylstannylbut-2-enyl]carbamate?
The InChIKey is TXPMSGCAMDYQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N2O4.3C4H9.Sn/c1-13(2,3)19-11(17)15-9-7-8-10-16-12(18)20-14(4,5)6;3*1-3-4-2;/h7H,9-10H2,1-6H3,(H,15,17)(H,16,18);3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tributylstannylbut-2-enyl]carbamate?
tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tributylstannylbut-2-enyl]carbamate has a molecular weight of 575.42 g/mol, XLogP of 7.35, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tributylstannylbut-2-enyl]carbamate is sourced from PubChem (CID 177390439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).