2-[2-(3-methylphenyl)ethoxy]-N-oxoacetamide

C11H13NO3 — CID 163656364

IUPAC2-[2-(3-methylphenyl)ethoxy]-N-oxoacetamide
SMILESCc1cccc(CCOCC(=O)N=O)c1
InChIInChI=1S/C11H13NO3/c1-9-3-2-4-10(7-9)5-6-15-8-11(13)12-14/h2-4,7H,5-6,8H2,1H3
InChIKeyIQOIPDQYYPEODE-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.85
Rot. Bonds5

About 2-[2-(3-methylphenyl)ethoxy]-N-oxoacetamide

2-[2-(3-methylphenyl)ethoxy]-N-oxoacetamide (PubChem CID 163656364) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)ethoxy]-N-oxoacetamide.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)ethoxy]-N-oxoacetamide
PubChem CID163656364
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-[2-(3-methylphenyl)ethoxy]-N-oxoacetamide
SMILESCc1cccc(CCOCC(=O)N=O)c1
InChIInChI=1S/C11H13NO3/c1-9-3-2-4-10(7-9)5-6-15-8-11(13)12-14/h2-4,7H,5-6,8H2,1H3
InChIKeyIQOIPDQYYPEODE-UHFFFAOYSA-N
XLogP1.85
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methylphenyl)methyl]-3-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid
CID 119243143
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide
CID 79472813
4-(3-methylphenyl)-2-oxobutanoic acid
CID 82185755
methyl 3-[methyl-[2-(3-methylphenyl)ethyl]amino]propanoate
CID 115232585
N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 86913071
3-(3-methylphenyl)propyl nitrate
CID 145116632
1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
4-(3-methylphenyl)butyl 2-methylprop-2-enoate
CID 174548240
2-(3-methylphenyl)ethanesulfonic acid
CID 87590537

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)ethoxy]-N-oxoacetamide?
The IUPAC name of 2-[2-(3-methylphenyl)ethoxy]-N-oxoacetamide (CID 163656364) is 2-[2-(3-methylphenyl)ethoxy]-N-oxoacetamide.
What is the SMILES notation for 2-[2-(3-methylphenyl)ethoxy]-N-oxoacetamide?
The canonical SMILES for 2-[2-(3-methylphenyl)ethoxy]-N-oxoacetamide is Cc1cccc(CCOCC(=O)N=O)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)ethoxy]-N-oxoacetamide?
The InChIKey is IQOIPDQYYPEODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-9-3-2-4-10(7-9)5-6-15-8-11(13)12-14/h2-4,7H,5-6,8H2,1H3.
What are the key properties of 2-[2-(3-methylphenyl)ethoxy]-N-oxoacetamide?
2-[2-(3-methylphenyl)ethoxy]-N-oxoacetamide has a molecular weight of 207.23 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)ethoxy]-N-oxoacetamide is sourced from PubChem (CID 163656364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).