(E)-N-(cyclohexylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C19H27NO4 — CID 6212341

IUPAC(E)-N-(cyclohexylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCC2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C19H27NO4/c1-22-16-11-15(12-17(23-2)19(16)24-3)9-10-18(21)20-13-14-7-5-4-6-8-14/h9-12,14H,4-8,13H2,1-3H3,(H,20,21)/b10-9+
InChIKeyFQLRNBTUULQLAB-MDZDMXLPSA-N
MW333.43 g/mol
LogP3.42
Rot. Bonds7

About (E)-N-(cyclohexylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-(cyclohexylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 6212341) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is (E)-N-(cyclohexylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(cyclohexylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID6212341
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name(E)-N-(cyclohexylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCC2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C19H27NO4/c1-22-16-11-15(12-17(23-2)19(16)24-3)9-10-18(21)20-13-14-7-5-4-6-8-14/h9-12,14H,4-8,13H2,1-3H3,(H,20,21)/b10-9+
InChIKeyFQLRNBTUULQLAB-MDZDMXLPSA-N
XLogP3.42
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.42
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(cyclohexylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(cyclohexylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 6212341) is (E)-N-(cyclohexylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(cyclohexylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(cyclohexylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)NCC2CCCCC2)cc(OC)c1OC.
What is the InChIKey of (E)-N-(cyclohexylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is FQLRNBTUULQLAB-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H27NO4/c1-22-16-11-15(12-17(23-2)19(16)24-3)9-10-18(21)20-13-14-7-5-4-6-8-14/h9-12,14H,4-8,13H2,1-3H3,(H,20,21)/b10-9+.
What are the key properties of (E)-N-(cyclohexylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-(cyclohexylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 333.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(cyclohexylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6212341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).