2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide

C13H17NO3 — CID 82116578

IUPAC2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)c1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C13H17NO3/c1-8(2)10-7-9(5-6-11(10)17-4)12(15)13(16)14-3/h5-8H,1-4H3,(H,14,16)
InChIKeyROWLEJXAQDNITF-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.75
Rot. Bonds4

About 2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide

2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide (PubChem CID 82116578) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
PubChem CID82116578
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)c1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C13H17NO3/c1-8(2)10-7-9(5-6-11(10)17-4)12(15)13(16)14-3/h5-8H,1-4H3,(H,14,16)
InChIKeyROWLEJXAQDNITF-UHFFFAOYSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxy-3-propan-2-ylphenyl)-2-oxoacetaldehyde
CID 82645508
2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide
CID 82123910
2-(4-methoxy-3-propan-2-ylphenyl)-3-methylbut-2-enoic acid
CID 82296347
2-amino-3-(4-methoxy-3-propan-2-ylphenyl)-3-oxopropanoic acid
CID 116920480
(1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone
CID 116924282
1-(4-methoxy-3-propan-2-ylphenyl)-3-(propan-2-ylamino)propan-1-one
CID 94275905
methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate
CID 110803260
2-(4-methoxy-3-propan-2-ylbenzoyl)butanenitrile
CID 116923679
methyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate
CID 115142148
(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 58015998
1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 110761401
4-amino-1-(4-methoxy-3-propan-2-ylphenyl)butan-1-one
CID 82367309

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide?
The IUPAC name of 2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide (CID 82116578) is 2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide is CNC(=O)C(=O)c1ccc(OC)c(C(C)C)c1.
What is the InChIKey of 2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide?
The InChIKey is ROWLEJXAQDNITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8(2)10-7-9(5-6-11(10)17-4)12(15)13(16)14-3/h5-8H,1-4H3,(H,14,16).
What are the key properties of 2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide?
2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide has a molecular weight of 235.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 82116578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).