methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate

C16H18N2O3 — CID 139811023

IUPACmethyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2ccc(C)nc2)cc1C
InChIInChI=1S/C16H18N2O3/c1-11-8-14(6-7-15(11)18-16(19)20-3)21-10-13-5-4-12(2)17-9-13/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyOUUJPFAXLPMREG-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.46
Rot. Bonds4

About methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate

methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate (PubChem CID 139811023) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate
PubChem CID139811023
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2ccc(C)nc2)cc1C
InChIInChI=1S/C16H18N2O3/c1-11-8-14(6-7-15(11)18-16(19)20-3)21-10-13-5-4-12(2)17-9-13/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyOUUJPFAXLPMREG-UHFFFAOYSA-N
XLogP3.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-methyl-4-[(5-methylpyrazin-2-yl)methoxy]phenyl]carbamate
CID 139811034
methyl N-[4-[(5-ethyl-2-pyridinyl)methoxy]-2-methylphenyl]carbamate
CID 139810973
methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate
CID 139811113
methyl N-[4-[(2-chloro-6-methoxy-4-pyridinyl)methoxy]-2-methylphenyl]carbamate
CID 139811030
methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate
CID 139811024
N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
CID 154800116
methyl N-[2-methyl-4-[(3-methyl-1-benzothiophen-2-yl)methoxy]phenyl]carbamate
CID 139811068
methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate
CID 139810963
2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide
CID 39431489
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline
CID 104749166
methyl N-[2-methyl-4-[[3-(1,1,2,2,2-pentafluoroethyl)-1-phenylpyrazol-5-yl]methoxy]phenyl]carbamate
CID 139810981
tert-butyl N-(4-butoxy-2-methylphenyl)carbamate
CID 140675962

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate?
The IUPAC name of methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate (CID 139811023) is methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate is COC(=O)Nc1ccc(OCc2ccc(C)nc2)cc1C.
What is the InChIKey of methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate?
The InChIKey is OUUJPFAXLPMREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-8-14(6-7-15(11)18-16(19)20-3)21-10-13-5-4-12(2)17-9-13/h4-9H,10H2,1-3H3,(H,18,19).
What are the key properties of methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate?
methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate has a molecular weight of 286.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-methyl-4-[(6-methyl-3-pyridinyl)methoxy]phenyl]carbamate is sourced from PubChem (CID 139811023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).