N-ethyl-N-(2-methylphenyl)but-2-enamide

C13H17NO — CID 2883

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IUPACN-ethyl-N-(2-methylphenyl)but-2-enamide
SMILESCC=CC(=O)N(CC)c1ccccc1C
InChIInChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3
InChIKeyDNTGGZPQPQTDQF-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.92
Rot. Bonds3

About N-ethyl-N-(2-methylphenyl)but-2-enamide

N-ethyl-N-(2-methylphenyl)but-2-enamide (PubChem CID 2883) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-ethyl-N-(2-methylphenyl)but-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylphenyl)but-2-enamide
PubChem CID2883
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-ethyl-N-(2-methylphenyl)but-2-enamide
SMILESCC=CC(=O)N(CC)c1ccccc1C
InChIInChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3
InChIKeyDNTGGZPQPQTDQF-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylphenyl)but-2-enamide?
The IUPAC name of N-ethyl-N-(2-methylphenyl)but-2-enamide (CID 2883) is N-ethyl-N-(2-methylphenyl)but-2-enamide.
What is the SMILES notation for N-ethyl-N-(2-methylphenyl)but-2-enamide?
The canonical SMILES for N-ethyl-N-(2-methylphenyl)but-2-enamide is CC=CC(=O)N(CC)c1ccccc1C.
What is the InChIKey of N-ethyl-N-(2-methylphenyl)but-2-enamide?
The InChIKey is DNTGGZPQPQTDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3.
What are the key properties of N-ethyl-N-(2-methylphenyl)but-2-enamide?
N-ethyl-N-(2-methylphenyl)but-2-enamide has a molecular weight of 203.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylphenyl)but-2-enamide is sourced from PubChem (CID 2883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).