3-methyl-N-(2-phenylethyl)but-2-enamide

C13H17NO — CID 731815

IUPAC3-methyl-N-(2-phenylethyl)but-2-enamide
SMILESCC(C)=CC(=O)NCCc1ccccc1
InChIInChI=1S/C13H17NO/c1-11(2)10-13(15)14-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,15)
InChIKeyFCKSARQRQMJRHX-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.31
Rot. Bonds4

About 3-methyl-N-(2-phenylethyl)but-2-enamide

3-methyl-N-(2-phenylethyl)but-2-enamide (PubChem CID 731815) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-methyl-N-(2-phenylethyl)but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-(2-phenylethyl)but-2-enamide
PubChem CID731815
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-methyl-N-(2-phenylethyl)but-2-enamide
SMILESCC(C)=CC(=O)NCCc1ccccc1
InChIInChI=1S/C13H17NO/c1-11(2)10-13(15)14-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,15)
InChIKeyFCKSARQRQMJRHX-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
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 3-methyl-N-(2-phenylethyl)but-2-enamide?
The IUPAC name of 3-methyl-N-(2-phenylethyl)but-2-enamide (CID 731815) is 3-methyl-N-(2-phenylethyl)but-2-enamide.
What is the SMILES notation for 3-methyl-N-(2-phenylethyl)but-2-enamide?
The canonical SMILES for 3-methyl-N-(2-phenylethyl)but-2-enamide is CC(C)=CC(=O)NCCc1ccccc1.
What is the InChIKey of 3-methyl-N-(2-phenylethyl)but-2-enamide?
The InChIKey is FCKSARQRQMJRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-11(2)10-13(15)14-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-N-(2-phenylethyl)but-2-enamide?
3-methyl-N-(2-phenylethyl)but-2-enamide has a molecular weight of 203.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenylethyl)but-2-enamide is sourced from PubChem (CID 731815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).