2-[4-methyl-N-(2-oxoethyl)anilino]acetaldehyde

C11H13NO2 — CID 18694581

IUPAC2-[4-methyl-N-(2-oxoethyl)anilino]acetaldehyde
SMILESCc1ccc(N(CC=O)CC=O)cc1
InChIInChI=1S/C11H13NO2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h2-5,8-9H,6-7H2,1H3
InChIKeyHZHIIDZWMSXMJP-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.20
Rot. Bonds5

About 2-[4-methyl-N-(2-oxoethyl)anilino]acetaldehyde

2-[4-methyl-N-(2-oxoethyl)anilino]acetaldehyde (PubChem CID 18694581) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[4-methyl-N-(2-oxoethyl)anilino]acetaldehyde.

Molecular Properties

Compound Name2-[4-methyl-N-(2-oxoethyl)anilino]acetaldehyde
PubChem CID18694581
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-[4-methyl-N-(2-oxoethyl)anilino]acetaldehyde
SMILESCc1ccc(N(CC=O)CC=O)cc1
InChIInChI=1S/C11H13NO2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h2-5,8-9H,6-7H2,1H3
InChIKeyHZHIIDZWMSXMJP-UHFFFAOYSA-N
XLogP1.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-N-(2-oxoethyl)anilino]acetaldehyde?
The IUPAC name of 2-[4-methyl-N-(2-oxoethyl)anilino]acetaldehyde (CID 18694581) is 2-[4-methyl-N-(2-oxoethyl)anilino]acetaldehyde.
What is the SMILES notation for 2-[4-methyl-N-(2-oxoethyl)anilino]acetaldehyde?
The canonical SMILES for 2-[4-methyl-N-(2-oxoethyl)anilino]acetaldehyde is Cc1ccc(N(CC=O)CC=O)cc1.
What is the InChIKey of 2-[4-methyl-N-(2-oxoethyl)anilino]acetaldehyde?
The InChIKey is HZHIIDZWMSXMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 2-[4-methyl-N-(2-oxoethyl)anilino]acetaldehyde?
2-[4-methyl-N-(2-oxoethyl)anilino]acetaldehyde has a molecular weight of 191.23 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-N-(2-oxoethyl)anilino]acetaldehyde is sourced from PubChem (CID 18694581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).