tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate

C16H23NO2 — CID 134867312

IUPACtert-butyl 2-[benzyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C16H23NO2/c1-5-11-17(12-14-9-7-6-8-10-14)13-15(18)19-16(2,3)4/h5-10H,1,11-13H2,2-4H3
InChIKeyBBQIWBMFOVVWHF-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.02
Rot. Bonds6

About tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate

tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate (PubChem CID 134867312) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[benzyl(prop-2-enyl)amino]acetate
PubChem CID134867312
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nametert-butyl 2-[benzyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C16H23NO2/c1-5-11-17(12-14-9-7-6-8-10-14)13-15(18)19-16(2,3)4/h5-10H,1,11-13H2,2-4H3
InChIKeyBBQIWBMFOVVWHF-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.02
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

tert-butyl 3-[benzyl(prop-2-enyl)amino]propanoate
CID 102165684
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate
CID 101196840
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78979164
(E)-N-benzyl-2-bromo-N-prop-2-enylbut-2-en-1-amine
CID 10612741
methyl 2-[[benzyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-4-(trifluoromethoxy)benzoate
CID 68841767
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031
methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
CID 60565095
tert-butyl 3-[2-[2-[benzyl-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoate
CID 171748821
2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide
CID 55598658
tert-butyl N-benzyl-N-(2-oxohex-5-enyl)carbamate
CID 165471210
2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 35164000

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate?
The IUPAC name of tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate (CID 134867312) is tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate is C=CCN(CC(=O)OC(C)(C)C)Cc1ccccc1.
What is the InChIKey of tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate?
The InChIKey is BBQIWBMFOVVWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-11-17(12-14-9-7-6-8-10-14)13-15(18)19-16(2,3)4/h5-10H,1,11-13H2,2-4H3.
What are the key properties of tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate?
tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate has a molecular weight of 261.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 134867312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).