tert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate

C20H23NO2 — CID 102211482

IUPACtert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N/C(=C\c1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-20(2,3)23-19(22)21-18(14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-14H,15H2,1-3H3,(H,21,22)/b18-14-
InChIKeyMYYDOCZIIROURN-JXAWBTAJSA-N
MW309.41 g/mol
LogP4.79
Rot. Bonds4

About tert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate

tert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate (PubChem CID 102211482) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate
PubChem CID102211482
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Nametert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N/C(=C\c1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-20(2,3)23-19(22)21-18(14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-14H,15H2,1-3H3,(H,21,22)/b18-14-
InChIKeyMYYDOCZIIROURN-JXAWBTAJSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid
CID 15408414
tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate
CID 21186039
tert-butyl N-[(E)-1-hydroxy-4-phenylbut-2-en-2-yl]carbamate
CID 100950560
tert-butyl N-(3-phenylprop-2-enoyl)carbamate
CID 123902044
tert-butyl N-[2-methyl-1-[(2-phenylacetyl)amino]prop-1-enyl]carbamate
CID 176957250
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
tert-butyl N-[(Z)-2-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate
CID 10981687
N-[(E)-1,3-diphenylprop-1-en-2-yl]aniline
CID 23278560
methyl (Z)-3-[3-[(Z)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxoprop-1-enyl]-5-(2-oxo-2-phenylmethoxyethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 15528225
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
benzyl (Z)-3-(2-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 177452491
tert-butyl N-[(Z)-3-phenylprop-1-enyl]carbamate
CID 11983772

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate (CID 102211482) is tert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate is CC(C)(C)OC(=O)N/C(=C\c1ccccc1)Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate?
The InChIKey is MYYDOCZIIROURN-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H23NO2/c1-20(2,3)23-19(22)21-18(14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-14H,15H2,1-3H3,(H,21,22)/b18-14-.
What are the key properties of tert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate?
tert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate has a molecular weight of 309.41 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate is sourced from PubChem (CID 102211482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).