(E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

C21H25NO4 — CID 94019784

IUPAC(E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C)cc2)c(OC)c1OC
InChIInChI=1S/C21H25NO4/c1-14-6-8-16(9-7-14)15(2)22-19(23)13-11-17-10-12-18(24-3)21(26-5)20(17)25-4/h6-13,15H,1-5H3,(H,22,23)/b13-11+/t15-/m1/s1
InChIKeyOQJVKTJZZKFJQQ-HFBDAHEESA-N
MW355.43 g/mol
LogP3.91
Rot. Bonds7

About (E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

(E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (PubChem CID 94019784) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is (E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
PubChem CID94019784
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name(E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C)cc2)c(OC)c1OC
InChIInChI=1S/C21H25NO4/c1-14-6-8-16(9-7-14)15(2)22-19(23)13-11-17-10-12-18(24-3)21(26-5)20(17)25-4/h6-13,15H,1-5H3,(H,22,23)/b13-11+/t15-/m1/s1
InChIKeyOQJVKTJZZKFJQQ-HFBDAHEESA-N
XLogP3.91
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 46772437
(E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6068482
(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 93486677
(E)-3-(5-bromo-2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide
CID 55709602
N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3905301
N-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55591555
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92672766
(E)-3-(2,4-dimethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262378
(E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 17329451
(E)-3-(2-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 30381442
(E)-N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 8962953
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 92674332

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (CID 94019784) is (E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C)cc2)c(OC)c1OC.
What is the InChIKey of (E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The InChIKey is OQJVKTJZZKFJQQ-HFBDAHEESA-N. The full InChI is InChI=1S/C21H25NO4/c1-14-6-8-16(9-7-14)15(2)22-19(23)13-11-17-10-12-18(24-3)21(26-5)20(17)25-4/h6-13,15H,1-5H3,(H,22,23)/b13-11+/t15-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
(E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide has a molecular weight of 355.43 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 94019784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).