N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide

C15H21NO3 — CID 115166846

IUPACN-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide
SMILESCOc1ccc(C(C)(C)CNC(=O)C=O)c(C)c1C
InChIInChI=1S/C15H21NO3/c1-10-11(2)13(19-5)7-6-12(10)15(3,4)9-16-14(18)8-17/h6-8H,9H2,1-5H3,(H,16,18)
InChIKeyWEYYIYRZIQAXHP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.90
Rot. Bonds5

About N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide

N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide (PubChem CID 115166846) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide
PubChem CID115166846
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide
SMILESCOc1ccc(C(C)(C)CNC(=O)C=O)c(C)c1C
InChIInChI=1S/C15H21NO3/c1-10-11(2)13(19-5)7-6-12(10)15(3,4)9-16-14(18)8-17/h6-8H,9H2,1-5H3,(H,16,18)
InChIKeyWEYYIYRZIQAXHP-UHFFFAOYSA-N
XLogP1.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
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-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine
CID 115261451
N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide
CID 115165932
N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide
CID 115166889
N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 115262577
2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
CID 115259192
3-amino-3-(4-methoxy-2,3-dimethylphenyl)butanoic acid
CID 82291925
N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide
CID 115166849
1-amino-3-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]urea
CID 115193138
N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115191491
[2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea
CID 115168853
4,4-difluoro-4-(4-methoxy-2,3-dimethylphenyl)butanoic acid
CID 116838454
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide
CID 115166291

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide?
The IUPAC name of N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide (CID 115166846) is N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide.
What is the SMILES notation for N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide?
The canonical SMILES for N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide is COc1ccc(C(C)(C)CNC(=O)C=O)c(C)c1C.
What is the InChIKey of N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide?
The InChIKey is WEYYIYRZIQAXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-11(2)13(19-5)7-6-12(10)15(3,4)9-16-14(18)8-17/h6-8H,9H2,1-5H3,(H,16,18).
What are the key properties of N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide?
N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide has a molecular weight of 263.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide is sourced from PubChem (CID 115166846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).