tert-butyl N-ethenyl-N-[2-(N-methylanilino)ethyl]carbamate

C16H24N2O2 — CID 15316571

IUPACtert-butyl N-ethenyl-N-[2-(N-methylanilino)ethyl]carbamate
SMILESC=CN(CCN(C)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-6-18(15(19)20-16(2,3)4)13-12-17(5)14-10-8-7-9-11-14/h6-11H,1,12-13H2,2-5H3
InChIKeyNITHXWSXGGARAL-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.50
Rot. Bonds5

About tert-butyl N-ethenyl-N-[2-(N-methylanilino)ethyl]carbamate

tert-butyl N-ethenyl-N-[2-(N-methylanilino)ethyl]carbamate (PubChem CID 15316571) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl N-ethenyl-N-[2-(N-methylanilino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethenyl-N-[2-(N-methylanilino)ethyl]carbamate
PubChem CID15316571
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl N-ethenyl-N-[2-(N-methylanilino)ethyl]carbamate
SMILESC=CN(CCN(C)c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-6-18(15(19)20-16(2,3)4)13-12-17(5)14-10-8-7-9-11-14/h6-11H,1,12-13H2,2-5H3
InChIKeyNITHXWSXGGARAL-UHFFFAOYSA-N
XLogP3.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
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tert-butyl N-phenyl-N-(trifluoromethyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethenyl-N-[2-(N-methylanilino)ethyl]carbamate?
The IUPAC name of tert-butyl N-ethenyl-N-[2-(N-methylanilino)ethyl]carbamate (CID 15316571) is tert-butyl N-ethenyl-N-[2-(N-methylanilino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethenyl-N-[2-(N-methylanilino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethenyl-N-[2-(N-methylanilino)ethyl]carbamate is C=CN(CCN(C)c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethenyl-N-[2-(N-methylanilino)ethyl]carbamate?
The InChIKey is NITHXWSXGGARAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-6-18(15(19)20-16(2,3)4)13-12-17(5)14-10-8-7-9-11-14/h6-11H,1,12-13H2,2-5H3.
What are the key properties of tert-butyl N-ethenyl-N-[2-(N-methylanilino)ethyl]carbamate?
tert-butyl N-ethenyl-N-[2-(N-methylanilino)ethyl]carbamate has a molecular weight of 276.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethenyl-N-[2-(N-methylanilino)ethyl]carbamate is sourced from PubChem (CID 15316571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).