propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate

C18H19NO2 — CID 154705773

IUPACpropan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(2)21-18(20)19-17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-14H,1-2H3,(H,19,20)/b13-12+
InChIKeyNGESNUZIDSRBST-OUKQBFOZSA-N
MW281.35 g/mol
LogP4.81
Rot. Bonds4

About propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate

propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate (PubChem CID 154705773) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate
PubChem CID154705773
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Namepropan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C18H19NO2/c1-14(2)21-18(20)19-17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-14H,1-2H3,(H,19,20)/b13-12+
InChIKeyNGESNUZIDSRBST-OUKQBFOZSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate
CID 154704341
N-[2-[(E)-2-phenylethenyl]phenyl]ethanethioamide
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propan-2-yl N-(2-methoxyphenyl)carbamate
CID 5047637
methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate
CID 20667567
N-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]benzamide
CID 166628260
ethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate
CID 134869594
propan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 139904871
N-ethyl-2-(2-phenylethenyl)aniline
CID 152532004
ethyl N-[2-[(1Z)-buta-1,3-dienyl]phenyl]carbamate
CID 54598171
ethyl N-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]carbamate
CID 123146032
tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate
CID 134839697
propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522145

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate (CID 154705773) is propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate is CC(C)OC(=O)Nc1ccccc1/C=C/c1ccccc1.
What is the InChIKey of propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate?
The InChIKey is NGESNUZIDSRBST-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14(2)21-18(20)19-17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-14H,1-2H3,(H,19,20)/b13-12+.
What are the key properties of propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate?
propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate has a molecular weight of 281.35 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate is sourced from PubChem (CID 154705773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).