tert-butyl N-[2-[4-(methoxymethoxy)-3-tributylstannylphenyl]ethyl]carbamate

C27H49NO4Sn — CID 44518721

IUPACtert-butyl N-[2-[4-(methoxymethoxy)-3-tributylstannylphenyl]ethyl]carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(CCNC(=O)OC(C)(C)C)ccc1OCOC
InChIInChI=1S/C15H22NO4.3C4H9.Sn/c1-15(2,3)20-14(17)16-10-9-12-5-7-13(8-6-12)19-11-18-4;3*1-3-4-2;/h5-7H,9-11H2,1-4H3,(H,16,17);3*1,3-4H2,2H3;
InChIKeyHNVKXCOYLARBIG-UHFFFAOYSA-N
MW570.40 g/mol
LogP6.79
Rot. Bonds16

About tert-butyl N-[2-[4-(methoxymethoxy)-3-tributylstannylphenyl]ethyl]carbamate

tert-butyl N-[2-[4-(methoxymethoxy)-3-tributylstannylphenyl]ethyl]carbamate (PubChem CID 44518721) has the molecular formula C27H49NO4Sn and a molecular weight of 570.40 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(methoxymethoxy)-3-tributylstannylphenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(methoxymethoxy)-3-tributylstannylphenyl]ethyl]carbamate
PubChem CID44518721
Molecular FormulaC27H49NO4Sn
Molecular Weight570.40 g/mol
Exact Mass571.27
IUPAC Nametert-butyl N-[2-[4-(methoxymethoxy)-3-tributylstannylphenyl]ethyl]carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(CCNC(=O)OC(C)(C)C)ccc1OCOC
InChIInChI=1S/C15H22NO4.3C4H9.Sn/c1-15(2,3)20-14(17)16-10-9-12-5-7-13(8-6-12)19-11-18-4;3*1-3-4-2;/h5-7H,9-11H2,1-4H3,(H,16,17);3*1,3-4H2,2H3;
InChIKeyHNVKXCOYLARBIG-UHFFFAOYSA-N
XLogP6.79
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.40
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[3-(diethylaminomethyl)-4-(methoxymethoxy)phenyl]ethyl]carbamate
CID 166114646
tert-butyl N-[2-[3-formyl-4-(methoxymethoxy)phenyl]ethyl]carbamate
CID 166045337
tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate
CID 178156317
tert-butyl N-[2-(3-formyl-4-methoxyphenyl)ethyl]carbamate
CID 175662154
tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate
CID 22981165
tert-butyl N-[2-[3-fluoro-4-(3-iodopropoxy)phenyl]ethyl]carbamate
CID 175150532
tert-butyl N-[2-(3-bromo-4-chlorophenyl)ethyl]carbamate
CID 68945213
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
methyl 2-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 57016179
methyl 3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propanoate
CID 141484453
tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate
CID 170855746

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(methoxymethoxy)-3-tributylstannylphenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(methoxymethoxy)-3-tributylstannylphenyl]ethyl]carbamate (CID 44518721) is tert-butyl N-[2-[4-(methoxymethoxy)-3-tributylstannylphenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(methoxymethoxy)-3-tributylstannylphenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(methoxymethoxy)-3-tributylstannylphenyl]ethyl]carbamate is CCCC[Sn](CCCC)(CCCC)c1cc(CCNC(=O)OC(C)(C)C)ccc1OCOC.
What is the InChIKey of tert-butyl N-[2-[4-(methoxymethoxy)-3-tributylstannylphenyl]ethyl]carbamate?
The InChIKey is HNVKXCOYLARBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO4.3C4H9.Sn/c1-15(2,3)20-14(17)16-10-9-12-5-7-13(8-6-12)19-11-18-4;3*1-3-4-2;/h5-7H,9-11H2,1-4H3,(H,16,17);3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-[2-[4-(methoxymethoxy)-3-tributylstannylphenyl]ethyl]carbamate?
tert-butyl N-[2-[4-(methoxymethoxy)-3-tributylstannylphenyl]ethyl]carbamate has a molecular weight of 570.40 g/mol, XLogP of 6.79, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(methoxymethoxy)-3-tributylstannylphenyl]ethyl]carbamate is sourced from PubChem (CID 44518721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).