N-(3-methylphenoxy)acetamide

C9H11NO2 — CID 102440503

IUPACN-(3-methylphenoxy)acetamide
SMILESCC(=O)NOc1cccc(C)c1
InChIInChI=1S/C9H11NO2/c1-7-4-3-5-9(6-7)12-10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKeyZVPCSZKWXRTXJC-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.42
Rot. Bonds2

About N-(3-methylphenoxy)acetamide

N-(3-methylphenoxy)acetamide (PubChem CID 102440503) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methylphenoxy)acetamide
PubChem CID102440503
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-(3-methylphenoxy)acetamide
SMILESCC(=O)NOc1cccc(C)c1
InChIInChI=1S/C9H11NO2/c1-7-4-3-5-9(6-7)12-10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKeyZVPCSZKWXRTXJC-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-(3-methylphenoxy)propanedioate
CID 94687292
2-(3-methylphenoxy)propanehydrazide
CID 3021693
tert-butyl 2-(3-methylphenoxy)propanoate
CID 66337727
2-(3-methylphenoxy)-N-(2-methylpropoxy)propanamide
CID 115410151
(4-acetamidophenyl) (2R)-2-(3-methylphenoxy)propanoate
CID 8915502
N-methylacetamide;4-(3-methylphenoxy)pyridine
CID 142886690
1-amino-3-(3-methylphenoxy)butan-2-one
CID 82401994
(3-methylphenyl) 3-aminopropanoate
CID 82111471
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
N-(3-methylphenyl)acetamide
CID 10843
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
CID 124561386
2-chloroethyl (3-methylphenyl) carbonate
CID 91704252

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenoxy)acetamide?
The IUPAC name of N-(3-methylphenoxy)acetamide (CID 102440503) is N-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(3-methylphenoxy)acetamide is CC(=O)NOc1cccc(C)c1.
What is the InChIKey of N-(3-methylphenoxy)acetamide?
The InChIKey is ZVPCSZKWXRTXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7-4-3-5-9(6-7)12-10-8(2)11/h3-6H,1-2H3,(H,10,11).
What are the key properties of N-(3-methylphenoxy)acetamide?
N-(3-methylphenoxy)acetamide has a molecular weight of 165.19 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenoxy)acetamide is sourced from PubChem (CID 102440503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).