N-methyl-N-(2-phenylethyl)prop-2-enamide

C12H15NO — CID 60948933

IUPACN-methyl-N-(2-phenylethyl)prop-2-enamide
SMILESC=CC(=O)N(C)CCc1ccccc1
InChIInChI=1S/C12H15NO/c1-3-12(14)13(2)10-9-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3
InChIKeyBIODXFYZGTXTDZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.87
Rot. Bonds4

About N-methyl-N-(2-phenylethyl)prop-2-enamide

N-methyl-N-(2-phenylethyl)prop-2-enamide (PubChem CID 60948933) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)prop-2-enamide
PubChem CID60948933
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-methyl-N-(2-phenylethyl)prop-2-enamide
SMILESC=CC(=O)N(C)CCc1ccccc1
InChIInChI=1S/C12H15NO/c1-3-12(14)13(2)10-9-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3
InChIKeyBIODXFYZGTXTDZ-UHFFFAOYSA-N
XLogP1.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.87
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-methyl-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of N-methyl-N-(2-phenylethyl)prop-2-enamide (CID 60948933) is N-methyl-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(2-phenylethyl)prop-2-enamide is C=CC(=O)N(C)CCc1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is BIODXFYZGTXTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-12(14)13(2)10-9-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3.
What are the key properties of N-methyl-N-(2-phenylethyl)prop-2-enamide?
N-methyl-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 189.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 60948933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).