N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide

C12H17NO3 — CID 115191032

IUPACN-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide
SMILESCOc1cc(C)c(N(C)C(C)=O)cc1OC
InChIInChI=1S/C12H17NO3/c1-8-6-11(15-4)12(16-5)7-10(8)13(3)9(2)14/h6-7H,1-5H3
InChIKeyKNWOBBYQPVKYNS-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.99
Rot. Bonds3

About N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide

N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide (PubChem CID 115191032) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide
PubChem CID115191032
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide
SMILESCOc1cc(C)c(N(C)C(C)=O)cc1OC
InChIInChI=1S/C12H17NO3/c1-8-6-11(15-4)12(16-5)7-10(8)13(3)9(2)14/h6-7H,1-5H3
InChIKeyKNWOBBYQPVKYNS-UHFFFAOYSA-N
XLogP1.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-4,5-dimethylphenyl)-N-methylacetamide
CID 115190996
(4,5-dimethoxy-2-methylphenyl)-methylcarbamothioic S-acid
CID 115169847
N-(4,5-dimethoxy-2-methylphenyl)-N-methylcarbamoyl bromide
CID 115193445
methyl 2-(4-methoxy-N,2,5-trimethylanilino)-2-oxoacetate
CID 115142263
N-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide
CID 115191083
2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide
CID 115190174
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-2-one
CID 115235537
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid
CID 115170722
N-(4-fluoro-2-methoxyphenyl)-N-methylacetamide
CID 134094138
methyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate
CID 115190466
N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166080
1-methyl-1-(2,4,5-trimethoxyphenyl)urea
CID 115168286

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide (CID 115191032) is N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide is COc1cc(C)c(N(C)C(C)=O)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide?
The InChIKey is KNWOBBYQPVKYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-6-11(15-4)12(16-5)7-10(8)13(3)9(2)14/h6-7H,1-5H3.
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide?
N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide has a molecular weight of 223.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide is sourced from PubChem (CID 115191032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).