tert-butyl N-[2-(3,5-difluorophenyl)-2-(prop-2-enylamino)ethyl]-N-ethylcarbamate

C18H26F2N2O2 — CID 59389214

IUPACtert-butyl N-[2-(3,5-difluorophenyl)-2-(prop-2-enylamino)ethyl]-N-ethylcarbamate
SMILESC=CCNC(CN(CC)C(=O)OC(C)(C)C)c1cc(F)cc(F)c1
InChIInChI=1S/C18H26F2N2O2/c1-6-8-21-16(13-9-14(19)11-15(20)10-13)12-22(7-2)17(23)24-18(3,4)5/h6,9-11,16,21H,1,7-8,12H2,2-5H3
InChIKeyGXWNBEUNNOYIBY-UHFFFAOYSA-N
MW340.41 g/mol
LogP4.04
Rot. Bonds7

About tert-butyl N-[2-(3,5-difluorophenyl)-2-(prop-2-enylamino)ethyl]-N-ethylcarbamate

tert-butyl N-[2-(3,5-difluorophenyl)-2-(prop-2-enylamino)ethyl]-N-ethylcarbamate (PubChem CID 59389214) has the molecular formula C18H26F2N2O2 and a molecular weight of 340.41 g/mol. Its IUPAC name is tert-butyl N-[2-(3,5-difluorophenyl)-2-(prop-2-enylamino)ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,5-difluorophenyl)-2-(prop-2-enylamino)ethyl]-N-ethylcarbamate
PubChem CID59389214
Molecular FormulaC18H26F2N2O2
Molecular Weight340.41 g/mol
Exact Mass340.20
IUPAC Nametert-butyl N-[2-(3,5-difluorophenyl)-2-(prop-2-enylamino)ethyl]-N-ethylcarbamate
SMILESC=CCNC(CN(CC)C(=O)OC(C)(C)C)c1cc(F)cc(F)c1
InChIInChI=1S/C18H26F2N2O2/c1-6-8-21-16(13-9-14(19)11-15(20)10-13)12-22(7-2)17(23)24-18(3,4)5/h6,9-11,16,21H,1,7-8,12H2,2-5H3
InChIKeyGXWNBEUNNOYIBY-UHFFFAOYSA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-(3,5-difluorophenyl)-2-(prop-2-enylamino)ethyl]-N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9-Benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-carbamic acid tert-butyl ester
CID 3217175
Tert-butyl 4-benzylpiperazine-1-carboxylate
CID 584330
tert-Butyl Benzylcarbamate
CID 4615331
2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9363380
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate
CID 18369537
(R)-tert-butyl 4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)piperidine-1-carboxylate
CID 44592508
ethyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate
CID 155699138
ethyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
CID 155699165
tert-butyl (3R)-3-phenylpiperazine-1-carboxylate
CID 7015616
(S)-tert-Butyl (1-amino-3-phenylpropan-2-yl)carbamate
CID 10422234
isopropyl (2S,4R)-2-{[(2,5-difluorobenzyl)amino]methyl}-4-mercaptopyrrolidine-1-carboxylate
CID 44400838

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,5-difluorophenyl)-2-(prop-2-enylamino)ethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-(3,5-difluorophenyl)-2-(prop-2-enylamino)ethyl]-N-ethylcarbamate (CID 59389214) is tert-butyl N-[2-(3,5-difluorophenyl)-2-(prop-2-enylamino)ethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(3,5-difluorophenyl)-2-(prop-2-enylamino)ethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-(3,5-difluorophenyl)-2-(prop-2-enylamino)ethyl]-N-ethylcarbamate is C=CCNC(CN(CC)C(=O)OC(C)(C)C)c1cc(F)cc(F)c1.
What is the InChIKey of tert-butyl N-[2-(3,5-difluorophenyl)-2-(prop-2-enylamino)ethyl]-N-ethylcarbamate?
The InChIKey is GXWNBEUNNOYIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O2/c1-6-8-21-16(13-9-14(19)11-15(20)10-13)12-22(7-2)17(23)24-18(3,4)5/h6,9-11,16,21H,1,7-8,12H2,2-5H3.
What are the key properties of tert-butyl N-[2-(3,5-difluorophenyl)-2-(prop-2-enylamino)ethyl]-N-ethylcarbamate?
tert-butyl N-[2-(3,5-difluorophenyl)-2-(prop-2-enylamino)ethyl]-N-ethylcarbamate has a molecular weight of 340.41 g/mol, XLogP of 4.04, 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-(3,5-difluorophenyl)-2-(prop-2-enylamino)ethyl]-N-ethylcarbamate is sourced from PubChem (CID 59389214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).