N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide

C14H19NO — CID 112725740

IUPACN-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide
SMILESCC=CC(=O)N(C)C(C)c1ccc(C)cc1
InChIInChI=1S/C14H19NO/c1-5-6-14(16)15(4)12(3)13-9-7-11(2)8-10-13/h5-10,12H,1-4H3
InChIKeyRLGUXXYJRBNFPA-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.09
Rot. Bonds3

About N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide

N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide (PubChem CID 112725740) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide
PubChem CID112725740
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide
SMILESCC=CC(=O)N(C)C(C)c1ccc(C)cc1
InChIInChI=1S/C14H19NO/c1-5-6-14(16)15(4)12(3)13-9-7-11(2)8-10-13/h5-10,12H,1-4H3
InChIKeyRLGUXXYJRBNFPA-UHFFFAOYSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.09
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-[1-(4-methylphenyl)ethyl]but-2-enamide?
The IUPAC name of N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide (CID 112725740) is N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide?
The canonical SMILES for N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide is CC=CC(=O)N(C)C(C)c1ccc(C)cc1.
What is the InChIKey of N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide?
The InChIKey is RLGUXXYJRBNFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-6-14(16)15(4)12(3)13-9-7-11(2)8-10-13/h5-10,12H,1-4H3.
What are the key properties of N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide?
N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide has a molecular weight of 217.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide is sourced from PubChem (CID 112725740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).