tert-butyl N-[2-[[(Z)-3-(2-formylphenyl)prop-2-enyl]-methylamino]ethyl]-N-methylcarbamate

C19H28N2O3 — CID 143544503

IUPACtert-butyl N-[2-[[(Z)-3-(2-formylphenyl)prop-2-enyl]-methylamino]ethyl]-N-methylcarbamate
SMILESCN(C/C=C\c1ccccc1C=O)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H28N2O3/c1-19(2,3)24-18(23)21(5)14-13-20(4)12-8-11-16-9-6-7-10-17(16)15-22/h6-11,15H,12-14H2,1-5H3/b11-8-
InChIKeyXDBPVEUWQVTCSI-FLIBITNWSA-N
MW332.44 g/mol
LogP3.31
Rot. Bonds7

About tert-butyl N-[2-[[(Z)-3-(2-formylphenyl)prop-2-enyl]-methylamino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[[(Z)-3-(2-formylphenyl)prop-2-enyl]-methylamino]ethyl]-N-methylcarbamate (PubChem CID 143544503) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl N-[2-[[(Z)-3-(2-formylphenyl)prop-2-enyl]-methylamino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(Z)-3-(2-formylphenyl)prop-2-enyl]-methylamino]ethyl]-N-methylcarbamate
PubChem CID143544503
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl N-[2-[[(Z)-3-(2-formylphenyl)prop-2-enyl]-methylamino]ethyl]-N-methylcarbamate
SMILESCN(C/C=C\c1ccccc1C=O)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H28N2O3/c1-19(2,3)24-18(23)21(5)14-13-20(4)12-8-11-16-9-6-7-10-17(16)15-22/h6-11,15H,12-14H2,1-5H3/b11-8-
InChIKeyXDBPVEUWQVTCSI-FLIBITNWSA-N
XLogP3.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[(2-bromophenyl)methyl-methylamino]ethyl]-N-methylcarbamate
CID 162438476
methyl 2-formyl-6-[N-methyl-4-[[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methyl]anilino]benzoate
CID 178004939
tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate
CID 54238697
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate
CID 137320760
tert-butyl N-[2-(4-bromo-2-formylphenoxy)ethyl]-N-methylcarbamate
CID 86627416
tert-butyl N-[2-(2,5-difluoro-4-formylphenoxy)ethyl]-N-methylcarbamate
CID 157021850
tert-butyl N-[3-(4-formylphenoxy)propyl]-N-methylcarbamate
CID 157022008
tert-butyl N-[2-[benzyl(2-hydroxyethyl)amino]ethyl]-N-methylcarbamate
CID 156839816
tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate
CID 59846673
tert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate
CID 103638800
tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate
CID 143215309
ethyl N-[2-(2-formylphenyl)ethyl]-N-methylcarbamate
CID 132598134

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(Z)-3-(2-formylphenyl)prop-2-enyl]-methylamino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[[(Z)-3-(2-formylphenyl)prop-2-enyl]-methylamino]ethyl]-N-methylcarbamate (CID 143544503) is tert-butyl N-[2-[[(Z)-3-(2-formylphenyl)prop-2-enyl]-methylamino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[[(Z)-3-(2-formylphenyl)prop-2-enyl]-methylamino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[[(Z)-3-(2-formylphenyl)prop-2-enyl]-methylamino]ethyl]-N-methylcarbamate is CN(C/C=C\c1ccccc1C=O)CCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[(Z)-3-(2-formylphenyl)prop-2-enyl]-methylamino]ethyl]-N-methylcarbamate?
The InChIKey is XDBPVEUWQVTCSI-FLIBITNWSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2,3)24-18(23)21(5)14-13-20(4)12-8-11-16-9-6-7-10-17(16)15-22/h6-11,15H,12-14H2,1-5H3/b11-8-.
What are the key properties of tert-butyl N-[2-[[(Z)-3-(2-formylphenyl)prop-2-enyl]-methylamino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[[(Z)-3-(2-formylphenyl)prop-2-enyl]-methylamino]ethyl]-N-methylcarbamate has a molecular weight of 332.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(Z)-3-(2-formylphenyl)prop-2-enyl]-methylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 143544503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).