N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

C20H23NO5 — CID 4307222

IUPACN-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(CNC(=O)C=Cc2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C20H23NO5/c1-23-16-9-5-14(6-10-16)13-21-18(22)12-8-15-7-11-17(24-2)20(26-4)19(15)25-3/h5-12H,13H2,1-4H3,(H,21,22)
InChIKeyBCZIWFZSWZVXFQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.05
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (PubChem CID 4307222) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
PubChem CID4307222
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(CNC(=O)C=Cc2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C20H23NO5/c1-23-16-9-5-14(6-10-16)13-21-18(22)12-8-15-7-11-17(24-2)20(26-4)19(15)25-3/h5-12H,13H2,1-4H3,(H,21,22)
InChIKeyBCZIWFZSWZVXFQ-UHFFFAOYSA-N
XLogP3.05
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6064379
N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3905301
(E)-3-(2-chloro-3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 45051346
(E)-N-(3-methoxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 126388548
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 46524786
(E)-N-[(2-ethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 28570264
N-(2,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4015229
(E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
CID 2684663
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 4103426
N-[4-[[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]-2-methylpropanamide
CID 55509565
(E)-N-[(4-bromophenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 61400451
(E)-3-(5-bromo-2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7959627

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (CID 4307222) is N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is COc1ccc(CNC(=O)C=Cc2ccc(OC)c(OC)c2OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The InChIKey is BCZIWFZSWZVXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-23-16-9-5-14(6-10-16)13-21-18(22)12-8-15-7-11-17(24-2)20(26-4)19(15)25-3/h5-12H,13H2,1-4H3,(H,21,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide has a molecular weight of 357.41 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4307222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).