ethyl N-[1-(4-tert-butylphenyl)ethenylamino]carbamate

C15H22N2O2 — CID 2306545

IUPACethyl N-[1-(4-tert-butylphenyl)ethenylamino]carbamate
SMILESC=C(NNC(=O)OCC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-6-19-14(18)17-16-11(2)12-7-9-13(10-8-12)15(3,4)5/h7-10,16H,2,6H2,1,3-5H3,(H,17,18)
InChIKeyJDTORYVWBOFJLW-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.21
Rot. Bonds4

About ethyl N-[1-(4-tert-butylphenyl)ethenylamino]carbamate

ethyl N-[1-(4-tert-butylphenyl)ethenylamino]carbamate (PubChem CID 2306545) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl N-[1-(4-tert-butylphenyl)ethenylamino]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(4-tert-butylphenyl)ethenylamino]carbamate
PubChem CID2306545
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl N-[1-(4-tert-butylphenyl)ethenylamino]carbamate
SMILESC=C(NNC(=O)OCC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-6-19-14(18)17-16-11(2)12-7-9-13(10-8-12)15(3,4)5/h7-10,16H,2,6H2,1,3-5H3,(H,17,18)
InChIKeyJDTORYVWBOFJLW-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
ethyl 2-oxo-2-[2-(1-phenylethenyl)hydrazinyl]acetate
CID 2274410
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CID 54067537
tert-butyl N-(1-phenylethenylamino)carbamate
CID 2692506
N'-[1-(4-tert-butylphenyl)ethenyl]-2-morpholin-4-ylacetohydrazide
CID 5177812
4-tert-butylbenzohydrazide;hydrochloride
CID 175372968
ethyl 2-amino-2-(4-tert-butylphenyl)propanoate
CID 3918819
ethyl (E)-3-[(4-tert-butylbenzoyl)amino]but-2-enoate
CID 6119427
ethyl 4-(2-methoxypropan-2-yl)benzoate
CID 140896338
ethyl 4-(4-tert-butylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110798584
1-tert-butyl-4-methylbenzene;bis(4-tert-butyl-N-propylbenzamide)
CID 159281863
3-(4-tert-butylphenyl)-1-(4-methylphenyl)but-3-en-1-one
CID 143097363

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(4-tert-butylphenyl)ethenylamino]carbamate?
The IUPAC name of ethyl N-[1-(4-tert-butylphenyl)ethenylamino]carbamate (CID 2306545) is ethyl N-[1-(4-tert-butylphenyl)ethenylamino]carbamate.
What is the SMILES notation for ethyl N-[1-(4-tert-butylphenyl)ethenylamino]carbamate?
The canonical SMILES for ethyl N-[1-(4-tert-butylphenyl)ethenylamino]carbamate is C=C(NNC(=O)OCC)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of ethyl N-[1-(4-tert-butylphenyl)ethenylamino]carbamate?
The InChIKey is JDTORYVWBOFJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-6-19-14(18)17-16-11(2)12-7-9-13(10-8-12)15(3,4)5/h7-10,16H,2,6H2,1,3-5H3,(H,17,18).
What are the key properties of ethyl N-[1-(4-tert-butylphenyl)ethenylamino]carbamate?
ethyl N-[1-(4-tert-butylphenyl)ethenylamino]carbamate has a molecular weight of 262.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(4-tert-butylphenyl)ethenylamino]carbamate is sourced from PubChem (CID 2306545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).