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

C13H17NO — CID 91331870

IUPACN-[2-(4-methylphenyl)ethyl]but-2-enamide
SMILESCC=CC(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C13H17NO/c1-3-4-13(15)14-10-9-12-7-5-11(2)6-8-12/h3-8H,9-10H2,1-2H3,(H,14,15)
InChIKeyVFOKALYGJQZANI-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.23
Rot. Bonds4

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

N-[2-(4-methylphenyl)ethyl]but-2-enamide (PubChem CID 91331870) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]but-2-enamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]but-2-enamide
PubChem CID91331870
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-[2-(4-methylphenyl)ethyl]but-2-enamide
SMILESCC=CC(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C13H17NO/c1-3-4-13(15)14-10-9-12-7-5-11(2)6-8-12/h3-8H,9-10H2,1-2H3,(H,14,15)
InChIKeyVFOKALYGJQZANI-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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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Related Compounds

(E)-N-[2-(4-bromophenyl)ethyl]but-2-enamide
CID 110478022
(E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide
CID 23320209
1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea
CID 108909730
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
(E)-N-[2-[4-(2-chloroethylsulfamoyl)phenyl]ethyl]but-2-enamide
CID 23320212
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]but-2-enamide
CID 73010512
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
N-[2-(4-methylphenyl)ethyl]-3-oxobutanamide
CID 115176502
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448
3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide
CID 173355600
ethyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 22253656
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]but-2-enamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]but-2-enamide (CID 91331870) is N-[2-(4-methylphenyl)ethyl]but-2-enamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]but-2-enamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]but-2-enamide is CC=CC(=O)NCCc1ccc(C)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]but-2-enamide?
The InChIKey is VFOKALYGJQZANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-4-13(15)14-10-9-12-7-5-11(2)6-8-12/h3-8H,9-10H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(4-methylphenyl)ethyl]but-2-enamide?
N-[2-(4-methylphenyl)ethyl]but-2-enamide has a molecular weight of 203.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]but-2-enamide is sourced from PubChem (CID 91331870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).