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

C18H18ClNO3 — CID 19919999

IUPACmethyl N-[2-[(E)-2-(2-chlorophenyl)ethenyl]phenyl]-N-(methoxymethyl)carbamate
SMILESCOCN(C(=O)OC)c1ccccc1/C=C/c1ccccc1Cl
InChIInChI=1S/C18H18ClNO3/c1-22-13-20(18(21)23-2)17-10-6-4-8-15(17)12-11-14-7-3-5-9-16(14)19/h3-12H,13H2,1-2H3/b12-11+
InChIKeyLORNRSDWZSXCCM-VAWYXSNFSA-N
MW331.80 g/mol
LogP4.69
Rot. Bonds5

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

methyl N-[2-[(E)-2-(2-chlorophenyl)ethenyl]phenyl]-N-(methoxymethyl)carbamate (PubChem CID 19919999) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is methyl N-[2-[(E)-2-(2-chlorophenyl)ethenyl]phenyl]-N-(methoxymethyl)carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(E)-2-(2-chlorophenyl)ethenyl]phenyl]-N-(methoxymethyl)carbamate
PubChem CID19919999
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Namemethyl N-[2-[(E)-2-(2-chlorophenyl)ethenyl]phenyl]-N-(methoxymethyl)carbamate
SMILESCOCN(C(=O)OC)c1ccccc1/C=C/c1ccccc1Cl
InChIInChI=1S/C18H18ClNO3/c1-22-13-20(18(21)23-2)17-10-6-4-8-15(17)12-11-14-7-3-5-9-16(14)19/h3-12H,13H2,1-2H3/b12-11+
InChIKeyLORNRSDWZSXCCM-VAWYXSNFSA-N
XLogP4.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(E)-2-(2-chlorophenyl)ethenyl]phenyl]-N-(methoxymethyl)carbamate?
The IUPAC name of methyl N-[2-[(E)-2-(2-chlorophenyl)ethenyl]phenyl]-N-(methoxymethyl)carbamate (CID 19919999) is methyl N-[2-[(E)-2-(2-chlorophenyl)ethenyl]phenyl]-N-(methoxymethyl)carbamate.
What is the SMILES notation for methyl N-[2-[(E)-2-(2-chlorophenyl)ethenyl]phenyl]-N-(methoxymethyl)carbamate?
The canonical SMILES for methyl N-[2-[(E)-2-(2-chlorophenyl)ethenyl]phenyl]-N-(methoxymethyl)carbamate is COCN(C(=O)OC)c1ccccc1/C=C/c1ccccc1Cl.
What is the InChIKey of methyl N-[2-[(E)-2-(2-chlorophenyl)ethenyl]phenyl]-N-(methoxymethyl)carbamate?
The InChIKey is LORNRSDWZSXCCM-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-22-13-20(18(21)23-2)17-10-6-4-8-15(17)12-11-14-7-3-5-9-16(14)19/h3-12H,13H2,1-2H3/b12-11+.
What are the key properties of methyl N-[2-[(E)-2-(2-chlorophenyl)ethenyl]phenyl]-N-(methoxymethyl)carbamate?
methyl N-[2-[(E)-2-(2-chlorophenyl)ethenyl]phenyl]-N-(methoxymethyl)carbamate has a molecular weight of 331.80 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(E)-2-(2-chlorophenyl)ethenyl]phenyl]-N-(methoxymethyl)carbamate is sourced from PubChem (CID 19919999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).