tert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate

C21H24N2O3 — CID 143726586

IUPACtert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate
SMILESC=N/C(=C(/NC(=O)OC(C)(C)C)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-21(2,3)26-20(24)23-19(25-15-16-11-7-5-8-12-16)18(22-4)17-13-9-6-10-14-17/h5-14H,4,15H2,1-3H3,(H,23,24)/b19-18-
InChIKeyLVNQTWSBQMXQRA-HNENSFHCSA-N
MW352.43 g/mol
LogP4.75
Rot. Bonds6

About tert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate

tert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate (PubChem CID 143726586) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate
PubChem CID143726586
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Nametert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate
SMILESC=N/C(=C(/NC(=O)OC(C)(C)C)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-21(2,3)26-20(24)23-19(25-15-16-11-7-5-8-12-16)18(22-4)17-13-9-6-10-14-17/h5-14H,4,15H2,1-3H3,(H,23,24)/b19-18-
InChIKeyLVNQTWSBQMXQRA-HNENSFHCSA-N
XLogP4.75
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4,5-Diphenyl-4-oxazolin-2-one
CID 151245
benzyl N-(N'-benzylcarbamimidoyl)carbamate
CID 53475287
benzyl N-(1-phenylethenyl)carbamate
CID 12003187
benzyl N-[(Z)-1-phenylbut-1-enyl]carbamate
CID 58839422
N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 143726600
2,2-difluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]cyclopropane-1-carboxamide
CID 143726664
2,2,2-trifluoro-N-[(Z)-2-(methylideneamino)-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethenyl]acetamide
CID 143726730
benzyl N-[(E)-1-phenylbut-1-enyl]carbamate
CID 11254534
5-(4-Methylphenyl)-4-phenyl-1,3-oxazol-2(3H)-one
CID 12345606
4-(4-methylphenyl)-5-phenyl-3H-1,3-oxazol-2-one
CID 12345607
benzyl N-[(E)-1-(3-methylphenyl)prop-1-enyl]carbamate
CID 15953114
benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate
CID 44603837

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate (CID 143726586) is tert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate is C=N/C(=C(/NC(=O)OC(C)(C)C)OCc1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate?
The InChIKey is LVNQTWSBQMXQRA-HNENSFHCSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-21(2,3)26-20(24)23-19(25-15-16-11-7-5-8-12-16)18(22-4)17-13-9-6-10-14-17/h5-14H,4,15H2,1-3H3,(H,23,24)/b19-18-.
What are the key properties of tert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate?
tert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate has a molecular weight of 352.43 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]carbamate is sourced from PubChem (CID 143726586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).