2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide

C13H17NO3 — CID 94262563

IUPAC2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide
SMILESCOc1ccccc1C(=O)C(=O)NCC(C)C
InChIInChI=1S/C13H17NO3/c1-9(2)8-14-13(16)12(15)10-6-4-5-7-11(10)17-3/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyFLPHCGITPGDNIJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.65
Rot. Bonds5

About 2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide

2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide (PubChem CID 94262563) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide
PubChem CID94262563
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide
SMILESCOc1ccccc1C(=O)C(=O)NCC(C)C
InChIInChI=1S/C13H17NO3/c1-9(2)8-14-13(16)12(15)10-6-4-5-7-11(10)17-3/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyFLPHCGITPGDNIJ-UHFFFAOYSA-N
XLogP1.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.65
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-[2-(2-methoxybenzoyl)hydrazinyl]-N-(2-methylpropyl)-2-oxoacetamide
CID 3117713
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2647794
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
(2S)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723757
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723758
2-methoxy-N-[2-(methylamino)propyl]benzamide
CID 103512789
N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 46741715
1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea
CID 108867808
2-hydroxy-3-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 115598366
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
N-[(2R)-2-(ethylamino)propyl]-2-methoxybenzamide
CID 120650635

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide (CID 94262563) is 2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide is COc1ccccc1C(=O)C(=O)NCC(C)C.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide?
The InChIKey is FLPHCGITPGDNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(2)8-14-13(16)12(15)10-6-4-5-7-11(10)17-3/h4-7,9H,8H2,1-3H3,(H,14,16).
What are the key properties of 2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide?
2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide has a molecular weight of 235.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide is sourced from PubChem (CID 94262563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).