tert-butyl N-[2-[[(E)-but-2-enyl]-butylamino]-2-oxoethyl]carbamate

C15H28N2O3 — CID 134871844

IUPACtert-butyl N-[2-[[(E)-but-2-enyl]-butylamino]-2-oxoethyl]carbamate
SMILESC/C=C/CN(CCCC)C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-6-8-10-17(11-9-7-2)13(18)12-16-14(19)20-15(3,4)5/h6,8H,7,9-12H2,1-5H3,(H,16,19)/b8-6+
InChIKeyLINHAEKJBWWZMP-SOFGYWHQSA-N
MW284.40 g/mol
LogP2.72
Rot. Bonds7

About tert-butyl N-[2-[[(E)-but-2-enyl]-butylamino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[(E)-but-2-enyl]-butylamino]-2-oxoethyl]carbamate (PubChem CID 134871844) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[2-[[(E)-but-2-enyl]-butylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(E)-but-2-enyl]-butylamino]-2-oxoethyl]carbamate
PubChem CID134871844
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[2-[[(E)-but-2-enyl]-butylamino]-2-oxoethyl]carbamate
SMILESC/C=C/CN(CCCC)C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-6-8-10-17(11-9-7-2)13(18)12-16-14(19)20-15(3,4)5/h6,8H,7,9-12H2,1-5H3,(H,16,19)/b8-6+
InChIKeyLINHAEKJBWWZMP-SOFGYWHQSA-N
XLogP2.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
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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tert-butyl N-{[(prop-2-en-1-yl)carbamoyl]methyl}carbamate
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tert-butyl N-[2-(2,5-dihydropyrrol-1-yl)ethyl]carbamate
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tert-butyl N-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]carbamate
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butyl N-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]carbamate
CID 70322059
tert-butyl N-[2-(but-3-enylamino)-2-oxoethyl]carbamate
CID 86035349
(S)-tert-butyl 1-(allylamino)-1-oxobutan-2-ylcarbamate
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Allylcarbamoylmethyl-methyl-carbamic acid tert-butyl ester
CID 86672796
tert-butyl N-[1-oxo-1-(prop-2-enylamino)propan-2-yl]carbamate
CID 86921633
tert-butyl N-[1-oxo-1-(prop-2-enylamino)butan-2-yl]carbamate
CID 87319476
tert-butyl N-[2-[butyl(methyl)amino]-2-oxoethyl]carbamate
CID 88400934

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(E)-but-2-enyl]-butylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(E)-but-2-enyl]-butylamino]-2-oxoethyl]carbamate (CID 134871844) is tert-butyl N-[2-[[(E)-but-2-enyl]-butylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(E)-but-2-enyl]-butylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(E)-but-2-enyl]-butylamino]-2-oxoethyl]carbamate is C/C=C/CN(CCCC)C(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[(E)-but-2-enyl]-butylamino]-2-oxoethyl]carbamate?
The InChIKey is LINHAEKJBWWZMP-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-8-10-17(11-9-7-2)13(18)12-16-14(19)20-15(3,4)5/h6,8H,7,9-12H2,1-5H3,(H,16,19)/b8-6+.
What are the key properties of tert-butyl N-[2-[[(E)-but-2-enyl]-butylamino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[(E)-but-2-enyl]-butylamino]-2-oxoethyl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(E)-but-2-enyl]-butylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 134871844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).