tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate

C17H25NO3 — CID 11680858

IUPACtert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate
SMILESC/C=C(\C)CN(C(=O)OC(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C17H25NO3/c1-7-13(2)12-18(16(19)21-17(3,4)5)14-8-10-15(20-6)11-9-14/h7-11H,12H2,1-6H3/b13-7+
InChIKeyZRZHKRTXDRLYMK-NTUHNPAUSA-N
MW291.39 g/mol
LogP4.40
Rot. Bonds4

About tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate

tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate (PubChem CID 11680858) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate
PubChem CID11680858
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate
SMILESC/C=C(\C)CN(C(=O)OC(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C17H25NO3/c1-7-13(2)12-18(16(19)21-17(3,4)5)14-8-10-15(20-6)11-9-14/h7-11H,12H2,1-6H3/b13-7+
InChIKeyZRZHKRTXDRLYMK-NTUHNPAUSA-N
XLogP4.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(4-methoxyphenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate?
The IUPAC name of tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate (CID 11680858) is tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate is C/C=C(\C)CN(C(=O)OC(C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate?
The InChIKey is ZRZHKRTXDRLYMK-NTUHNPAUSA-N. The full InChI is InChI=1S/C17H25NO3/c1-7-13(2)12-18(16(19)21-17(3,4)5)14-8-10-15(20-6)11-9-14/h7-11H,12H2,1-6H3/b13-7+.
What are the key properties of tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate?
tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate has a molecular weight of 291.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate is sourced from PubChem (CID 11680858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).