N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide

C14H19NO3 — CID 115166049

IUPACN-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
SMILESCOc1cc(C)c(N(C)C(=O)C=O)cc1C(C)C
InChIInChI=1S/C14H19NO3/c1-9(2)11-7-12(15(4)14(17)8-16)10(3)6-13(11)18-5/h6-9H,1-5H3
InChIKeyFXSXEORFDJDSCX-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.29
Rot. Bonds4

About N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide

N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide (PubChem CID 115166049) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
PubChem CID115166049
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
SMILESCOc1cc(C)c(N(C)C(=O)C=O)cc1C(C)C
InChIInChI=1S/C14H19NO3/c1-9(2)11-7-12(15(4)14(17)8-16)10(3)6-13(11)18-5/h6-9H,1-5H3
InChIKeyFXSXEORFDJDSCX-UHFFFAOYSA-N
XLogP2.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.29
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

(4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid
CID 115170722
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
4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115258354
1-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196385
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N,N'-dimethylmethanediamine
CID 115226664
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine
CID 96674273
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166361
N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide
CID 115191032
N-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide
CID 115166038
2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131764
(4,5-dimethoxy-2-methylphenyl)-methylcarbamothioic S-acid
CID 115169847

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide?
The IUPAC name of N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide (CID 115166049) is N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide?
The canonical SMILES for N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide is COc1cc(C)c(N(C)C(=O)C=O)cc1C(C)C.
What is the InChIKey of N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide?
The InChIKey is FXSXEORFDJDSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(2)11-7-12(15(4)14(17)8-16)10(3)6-13(11)18-5/h6-9H,1-5H3.
What are the key properties of N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide?
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide has a molecular weight of 249.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 115166049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).