methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate

C17H17NO2 — CID 20667567

IUPACmethyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1/C=C/c1ccccc1C
InChIInChI=1S/C17H17NO2/c1-13-7-3-4-8-14(13)11-12-15-9-5-6-10-16(15)18-17(19)20-2/h3-12H,1-2H3,(H,18,19)/b12-11+
InChIKeyGDHJDMOADFGCPR-VAWYXSNFSA-N
MW267.33 g/mol
LogP4.34
Rot. Bonds3

About methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate

methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate (PubChem CID 20667567) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate
PubChem CID20667567
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namemethyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1/C=C/c1ccccc1C
InChIInChI=1S/C17H17NO2/c1-13-7-3-4-8-14(13)11-12-15-9-5-6-10-16(15)18-17(19)20-2/h3-12H,1-2H3,(H,18,19)/b12-11+
InChIKeyGDHJDMOADFGCPR-VAWYXSNFSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.34
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

but-1-ene;ethane;methyl N-[2-[(E)-but-1-enyl]phenyl]carbamate
CID 145294176
tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate
CID 154704341
methyl N-(2-hydroxyphenyl)carbamate
CID 819280
tert-butyl N-[2-[(Z)-2-[2-(hydroxymethyl)phenyl]ethenyl]phenyl]carbamate
CID 134839697
propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate
CID 154705773
ethyl N-[2-[(1Z)-buta-1,3-dienyl]phenyl]carbamate
CID 54598171
(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 9098414
ethyl N-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]carbamate
CID 123146032
methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate
CID 58399637
tert-butyl N-[2-(2,2-difluoroethenyl)phenyl]carbamate
CID 169494610
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667
tert-butyl N-[2-[(Z)-2-(4-bromo-2-formylphenyl)ethenyl]phenyl]carbamate
CID 131747329

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate?
The IUPAC name of methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate (CID 20667567) is methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate?
The canonical SMILES for methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate is COC(=O)Nc1ccccc1/C=C/c1ccccc1C.
What is the InChIKey of methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate?
The InChIKey is GDHJDMOADFGCPR-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13-7-3-4-8-14(13)11-12-15-9-5-6-10-16(15)18-17(19)20-2/h3-12H,1-2H3,(H,18,19)/b12-11+.
What are the key properties of methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate?
methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate has a molecular weight of 267.33 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate is sourced from PubChem (CID 20667567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).