methyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate

C17H19NO3 — CID 20667664

IUPACmethyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate
SMILESCOC(=O)N(C)c1ccccc1COc1ccccc1C
InChIInChI=1S/C17H19NO3/c1-13-8-4-7-11-16(13)21-12-14-9-5-6-10-15(14)18(2)17(19)20-3/h4-11H,12H2,1-3H3
InChIKeyMWVMRJMEOVTYBG-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.78
Rot. Bonds4

About methyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate

methyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate (PubChem CID 20667664) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate
PubChem CID20667664
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate
SMILESCOC(=O)N(C)c1ccccc1COc1ccccc1C
InChIInChI=1S/C17H19NO3/c1-13-8-4-7-11-16(13)21-12-14-9-5-6-10-15(14)18(2)17(19)20-3/h4-11H,12H2,1-3H3
InChIKeyMWVMRJMEOVTYBG-UHFFFAOYSA-N
XLogP3.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl N-[2-[(2-bromo-4-ethyl-5-methylphenoxy)methyl]phenyl]-N-hydroxycarbamate
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2-amino-6-[(2-methylphenoxy)methyl]benzoic acid
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3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate?
The IUPAC name of methyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate (CID 20667664) is methyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate is COC(=O)N(C)c1ccccc1COc1ccccc1C.
What is the InChIKey of methyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate?
The InChIKey is MWVMRJMEOVTYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13-8-4-7-11-16(13)21-12-14-9-5-6-10-15(14)18(2)17(19)20-3/h4-11H,12H2,1-3H3.
What are the key properties of methyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate?
methyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate has a molecular weight of 285.34 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate is sourced from PubChem (CID 20667664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).