N-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide

C14H19NO2 — CID 23369793

IUPACN-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide
SMILESCCOc1ccc(C)c(NC(=O)C=C(C)C)c1
InChIInChI=1S/C14H19NO2/c1-5-17-12-7-6-11(4)13(9-12)15-14(16)8-10(2)3/h6-9H,5H2,1-4H3,(H,15,16)
InChIKeyUHEKKBMDGZTPSE-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.30
Rot. Bonds4

About N-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide

N-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide (PubChem CID 23369793) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide
PubChem CID23369793
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide
SMILESCCOc1ccc(C)c(NC(=O)C=C(C)C)c1
InChIInChI=1S/C14H19NO2/c1-5-17-12-7-6-11(4)13(9-12)15-14(16)8-10(2)3/h6-9H,5H2,1-4H3,(H,15,16)
InChIKeyUHEKKBMDGZTPSE-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methoxy-2-methylphenyl)-3-methylbut-2-enamide
CID 123241915
tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate
CID 69096726
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbut-2-enamide
CID 30877349
methyl 3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-4-methylbenzoate
CID 8920139
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7991934
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbut-2-enamide
CID 95157068
N-(5-acetamido-2-methylphenyl)-3-ethoxybenzamide
CID 108788826
N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 45000868
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487344
2-chloro-N-(2,4-diethoxyphenyl)acetamide
CID 166409021
2-(N-acetyl-4-ethoxyanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113173935

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide?
The IUPAC name of N-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide (CID 23369793) is N-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide is CCOc1ccc(C)c(NC(=O)C=C(C)C)c1.
What is the InChIKey of N-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide?
The InChIKey is UHEKKBMDGZTPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-17-12-7-6-11(4)13(9-12)15-14(16)8-10(2)3/h6-9H,5H2,1-4H3,(H,15,16).
What are the key properties of N-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide?
N-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide has a molecular weight of 233.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxy-2-methylphenyl)-3-methylbut-2-enamide is sourced from PubChem (CID 23369793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).