N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyl-2-oxoacetamide

C13H16ClNO3 — CID 115166155

IUPACN-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyl-2-oxoacetamide
SMILESCOc1c(C)c(C)c(Cl)c(C)c1N(C)C(=O)C=O
InChIInChI=1S/C13H16ClNO3/c1-7-8(2)13(18-5)12(9(3)11(7)14)15(4)10(17)6-16/h6H,1-5H3
InChIKeyUCBAWPOIVWIVRN-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.44
Rot. Bonds3

About N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyl-2-oxoacetamide

N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyl-2-oxoacetamide (PubChem CID 115166155) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyl-2-oxoacetamide
PubChem CID115166155
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC NameN-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyl-2-oxoacetamide
SMILESCOc1c(C)c(C)c(Cl)c(C)c1N(C)C(=O)C=O
InChIInChI=1S/C13H16ClNO3/c1-7-8(2)13(18-5)12(9(3)11(7)14)15(4)10(17)6-16/h6H,1-5H3
InChIKeyUCBAWPOIVWIVRN-UHFFFAOYSA-N
XLogP2.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 115195272
(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-methylcarbamic acid
CID 115170804
N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide
CID 115175491
1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one
CID 115234808
2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropan-1-one
CID 116915424
2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propan-1-one
CID 116915335
N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine
CID 115259388
5-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117117034
N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166080
1-(5-chloro-2-methoxy-3,4,6-trimethylanilino)propan-2-one
CID 115234523
2-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]acetaldehyde
CID 115223010
3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid
CID 115112862

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyl-2-oxoacetamide?
The IUPAC name of N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyl-2-oxoacetamide (CID 115166155) is N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyl-2-oxoacetamide?
The canonical SMILES for N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyl-2-oxoacetamide is COc1c(C)c(C)c(Cl)c(C)c1N(C)C(=O)C=O.
What is the InChIKey of N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyl-2-oxoacetamide?
The InChIKey is UCBAWPOIVWIVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-7-8(2)13(18-5)12(9(3)11(7)14)15(4)10(17)6-16/h6H,1-5H3.
What are the key properties of N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyl-2-oxoacetamide?
N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyl-2-oxoacetamide has a molecular weight of 269.73 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 115166155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).