(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide

C17H25NO2 — CID 84558392

IUPAC(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide
SMILESCOc1cc(C)c(/C=C/C(=O)NCCC(C)C)c(C)c1
InChIInChI=1S/C17H25NO2/c1-12(2)8-9-18-17(19)7-6-16-13(3)10-15(20-5)11-14(16)4/h6-7,10-12H,8-9H2,1-5H3,(H,18,19)/b7-6+
InChIKeyWBQCLXIBMFOROR-VOTSOKGWSA-N
MW275.39 g/mol
LogP3.49
Rot. Bonds6

About (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide

(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide (PubChem CID 84558392) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide
PubChem CID84558392
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide
SMILESCOc1cc(C)c(/C=C/C(=O)NCCC(C)C)c(C)c1
InChIInChI=1S/C17H25NO2/c1-12(2)8-9-18-17(19)7-6-16-13(3)10-15(20-5)11-14(16)4/h6-7,10-12H,8-9H2,1-5H3,(H,18,19)/b7-6+
InChIKeyWBQCLXIBMFOROR-VOTSOKGWSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide
CID 84557751
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide
CID 84557501
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
CID 84557468
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(2-phenylethyl)prop-2-enamide
CID 84557472
3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 3985990
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide
CID 84552085
3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2932857
(E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84558290
(E)-3-(3-amino-4-methylphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 39349426
(E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552099
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide
CID 2677238
(E)-N-(2,4-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552012

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide (CID 84558392) is (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide is COc1cc(C)c(/C=C/C(=O)NCCC(C)C)c(C)c1.
What is the InChIKey of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide?
The InChIKey is WBQCLXIBMFOROR-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)8-9-18-17(19)7-6-16-13(3)10-15(20-5)11-14(16)4/h6-7,10-12H,8-9H2,1-5H3,(H,18,19)/b7-6+.
What are the key properties of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide?
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide has a molecular weight of 275.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide is sourced from PubChem (CID 84558392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).