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

C15H21NO2 — CID 84557751

IUPAC(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C/c1c(C)cc(OC)cc1C
InChIInChI=1S/C15H21NO2/c1-5-8-16-15(17)7-6-14-11(2)9-13(18-4)10-12(14)3/h6-7,9-10H,5,8H2,1-4H3,(H,16,17)/b7-6+
InChIKeyZBGLWJKSLNCZQK-VOTSOKGWSA-N
MW247.34 g/mol
LogP2.85
Rot. Bonds5

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

(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide (PubChem CID 84557751) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide
PubChem CID84557751
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C/c1c(C)cc(OC)cc1C
InChIInChI=1S/C15H21NO2/c1-5-8-16-15(17)7-6-14-11(2)9-13(18-4)10-12(14)3/h6-7,9-10H,5,8H2,1-4H3,(H,16,17)/b7-6+
InChIKeyZBGLWJKSLNCZQK-VOTSOKGWSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.85
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

(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 84558392
(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
(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-(naphthalen-1-ylamino)ethyl]prop-2-enamide
CID 84552085
(E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84558290
propyl 4-[[(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enoyl]amino]benzoate
CID 84551920
(E)-N-(2,4-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552012
(E)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552041
(E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552099
(E)-N-(4-anilinophenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552036
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 84552797

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide (CID 84557751) is (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide is CCCNC(=O)/C=C/c1c(C)cc(OC)cc1C.
What is the InChIKey of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide?
The InChIKey is ZBGLWJKSLNCZQK-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-8-16-15(17)7-6-14-11(2)9-13(18-4)10-12(14)3/h6-7,9-10H,5,8H2,1-4H3,(H,16,17)/b7-6+.
What are the key properties of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide?
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.85, 5 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-propylprop-2-enamide is sourced from PubChem (CID 84557751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).