N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide

C13H17NO4 — CID 115166684

IUPACN-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide
SMILESCOc1ccc(CCN(C)C(=O)C=O)c(OC)c1
InChIInChI=1S/C13H17NO4/c1-14(13(16)9-15)7-6-10-4-5-11(17-2)8-12(10)18-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyZDTZYLIUZDCNMN-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.90
Rot. Bonds6

About N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide

N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide (PubChem CID 115166684) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide
PubChem CID115166684
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide
SMILESCOc1ccc(CCN(C)C(=O)C=O)c(OC)c1
InChIInChI=1S/C13H17NO4/c1-14(13(16)9-15)7-6-10-4-5-11(17-2)8-12(10)18-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyZDTZYLIUZDCNMN-UHFFFAOYSA-N
XLogP0.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 115191281
methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate
CID 115190775
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine
CID 117044148
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
2-(2,5-dimethoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170385
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
1-[2-(2,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 115137127
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-[2-(2-chloro-4-methoxyphenyl)ethyl]-N-methyl-2-oxopropanamide
CID 115176047
4-(2,4-dimethoxyphenyl)-N-methoxybutanamide
CID 11608534
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141026

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide (CID 115166684) is N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide is COc1ccc(CCN(C)C(=O)C=O)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide?
The InChIKey is ZDTZYLIUZDCNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-14(13(16)9-15)7-6-10-4-5-11(17-2)8-12(10)18-3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide?
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide has a molecular weight of 251.28 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 115166684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).