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

C13H17NO2 — CID 123241915

IUPACN-(5-methoxy-2-methylphenyl)-3-methylbut-2-enamide
SMILESCOc1ccc(C)c(NC(=O)C=C(C)C)c1
InChIInChI=1S/C13H17NO2/c1-9(2)7-13(15)14-12-8-11(16-4)6-5-10(12)3/h5-8H,1-4H3,(H,14,15)
InChIKeyXXPDSEIUYUHDTE-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.91
Rot. Bonds3

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

N-(5-methoxy-2-methylphenyl)-3-methylbut-2-enamide (PubChem CID 123241915) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(5-methoxy-2-methylphenyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(5-methoxy-2-methylphenyl)-3-methylbut-2-enamide
PubChem CID123241915
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(5-methoxy-2-methylphenyl)-3-methylbut-2-enamide
SMILESCOc1ccc(C)c(NC(=O)C=C(C)C)c1
InChIInChI=1S/C13H17NO2/c1-9(2)7-13(15)14-12-8-11(16-4)6-5-10(12)3/h5-8H,1-4H3,(H,14,15)
InChIKeyXXPDSEIUYUHDTE-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.91
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-ethoxy-2-methylphenyl)-3-methylbut-2-enamide
CID 23369793
N,N'-bis(5-methoxy-2-methylphenyl)decanediamide
CID 10670784
3-bromo-N-(5-methoxy-2-methylphenyl)propanamide
CID 130496323
N-(2-methoxyphenyl)-3-methylbut-2-enamide
CID 19177446
2-(5-methoxy-2-methylanilino)acetic acid
CID 130496332
2-amino-3-methoxy-N-(5-methoxy-2-methylphenyl)propanamide
CID 114252735
N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113256572
(E)-N-(5-chloro-2-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 682471
3-(ethylamino)-N-(5-methoxy-2-methylphenyl)-2-methylpropanamide
CID 114252727
N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 881958
N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbut-2-enamide
CID 19177485
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7751129

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methylphenyl)-3-methylbut-2-enamide?
The IUPAC name of N-(5-methoxy-2-methylphenyl)-3-methylbut-2-enamide (CID 123241915) is N-(5-methoxy-2-methylphenyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(5-methoxy-2-methylphenyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(5-methoxy-2-methylphenyl)-3-methylbut-2-enamide is COc1ccc(C)c(NC(=O)C=C(C)C)c1.
What is the InChIKey of N-(5-methoxy-2-methylphenyl)-3-methylbut-2-enamide?
The InChIKey is XXPDSEIUYUHDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)7-13(15)14-12-8-11(16-4)6-5-10(12)3/h5-8H,1-4H3,(H,14,15).
What are the key properties of N-(5-methoxy-2-methylphenyl)-3-methylbut-2-enamide?
N-(5-methoxy-2-methylphenyl)-3-methylbut-2-enamide has a molecular weight of 219.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methylphenyl)-3-methylbut-2-enamide is sourced from PubChem (CID 123241915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).