methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate

C12H17NO3 — CID 115190424

IUPACmethyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate
SMILESCOC(=O)Nc1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C12H17NO3/c1-7-6-8(2)10(13-12(14)16-5)11(15-4)9(7)3/h6H,1-5H3,(H,13,14)
InChIKeyGZKLDOHWKPVWCK-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.80
Rot. Bonds2

About methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate

methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate (PubChem CID 115190424) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate
PubChem CID115190424
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate
SMILESCOC(=O)Nc1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C12H17NO3/c1-7-6-8(2)10(13-12(14)16-5)11(15-4)9(7)3/h6H,1-5H3,(H,13,14)
InChIKeyGZKLDOHWKPVWCK-UHFFFAOYSA-N
XLogP2.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide
CID 115176749
4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide
CID 115155164
methyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate
CID 46786378
4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one
CID 115235463
N-(4-formyl-2-methoxy-3,6-dimethylphenyl)acetamide
CID 84787865
N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide
CID 115176347
2-methoxy-3,4,6-trimethylbenzoyl chloride
CID 116924656
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate
CID 116963118
methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate
CID 115232845
1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
CID 116915325
methyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 19857501
methyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 116654064

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate?
The IUPAC name of methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate (CID 115190424) is methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate.
What is the SMILES notation for methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate?
The canonical SMILES for methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate is COC(=O)Nc1c(C)cc(C)c(C)c1OC.
What is the InChIKey of methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate?
The InChIKey is GZKLDOHWKPVWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-7-6-8(2)10(13-12(14)16-5)11(15-4)9(7)3/h6H,1-5H3,(H,13,14).
What are the key properties of methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate?
methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate has a molecular weight of 223.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate is sourced from PubChem (CID 115190424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).