N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide

C15H21NO2 — CID 47010076

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)C=C(C)C
InChIInChI=1S/C15H21NO2/c1-10(2)8-15(17)16-12(4)13-9-11(3)6-7-14(13)18-5/h6-9,12H,1-5H3,(H,16,17)
InChIKeyZBFYZBIYJDIDML-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.15
Rot. Bonds4

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide

N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide (PubChem CID 47010076) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide
PubChem CID47010076
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)C=C(C)C
InChIInChI=1S/C15H21NO2/c1-10(2)8-15(17)16-12(4)13-9-11(3)6-7-14(13)18-5/h6-9,12H,1-5H3,(H,16,17)
InChIKeyZBFYZBIYJDIDML-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.15
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-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide
CID 47101319
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
(E)-3-(furan-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9048389
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240
(E)-3-(2,4-dimethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262378
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 78813044
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 60940420
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 55121780
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 51212300

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide (CID 47010076) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide is COc1ccc(C)cc1C(C)NC(=O)C=C(C)C.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide?
The InChIKey is ZBFYZBIYJDIDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)8-15(17)16-12(4)13-9-11(3)6-7-14(13)18-5/h6-9,12H,1-5H3,(H,16,17).
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide is sourced from PubChem (CID 47010076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).