tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate

C16H23NO2 — CID 145420366

IUPACtert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate
SMILESC=C(CC)c1ccc(N(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-7-12(2)13-8-10-14(11-9-13)17(6)15(18)19-16(3,4)5/h8-11H,2,7H2,1,3-6H3
InChIKeyGXLHECZCXDKBCF-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.48
Rot. Bonds3

About tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate

tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate (PubChem CID 145420366) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate
PubChem CID145420366
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nametert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate
SMILESC=C(CC)c1ccc(N(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-7-12(2)13-8-10-14(11-9-13)17(6)15(18)19-16(3,4)5/h8-11H,2,7H2,1,3-6H3
InChIKeyGXLHECZCXDKBCF-UHFFFAOYSA-N
XLogP4.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
CID 25187106
2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]acetic acid
CID 10730397
tert-butyl N-(4-formylphenyl)-N-methylcarbamate
CID 58592072
tert-butyl N-methyl-N-phenylcarbamate;chloro(diethyl)alumane
CID 174369675
ethyl (E)-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]prop-2-enoate
CID 149254408
4-but-1-en-2-ylbenzoic acid
CID 69283936
(2,5-dioxopyrrolidin-1-yl) 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoate
CID 171393354
2-[methyl-[[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]methyl]amino]acetic acid
CID 89485002
tert-butyl N-(3-ethylphenyl)-N-methylcarbamate
CID 167076497
tert-butyl N-[4-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]phenyl]-N-methylcarbamate
CID 130215373
tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate
CID 123401637
tert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate
CID 171654852

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate (CID 145420366) is tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate is C=C(CC)c1ccc(N(C)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate?
The InChIKey is GXLHECZCXDKBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-7-12(2)13-8-10-14(11-9-13)17(6)15(18)19-16(3,4)5/h8-11H,2,7H2,1,3-6H3.
What are the key properties of tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate?
tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate has a molecular weight of 261.37 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-but-1-en-2-ylphenyl)-N-methylcarbamate is sourced from PubChem (CID 145420366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).