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

C20H23NO3 — CID 51149237

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC(C)c2ccccc2C)cc1OC
InChIInChI=1S/C20H23NO3/c1-14-7-5-6-8-17(14)15(2)21-20(22)12-10-16-9-11-18(23-3)19(13-16)24-4/h5-13,15H,1-4H3,(H,21,22)/b12-10+
InChIKeyOYCBTQQZBZONNN-ZRDIBKRKSA-N
MW325.41 g/mol
LogP3.90
Rot. Bonds6

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

(E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide (PubChem CID 51149237) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide
PubChem CID51149237
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC(C)c2ccccc2C)cc1OC
InChIInChI=1S/C20H23NO3/c1-14-7-5-6-8-17(14)15(2)21-20(22)12-10-16-9-11-18(23-3)19(13-16)24-4/h5-13,15H,1-4H3,(H,21,22)/b12-10+
InChIKeyOYCBTQQZBZONNN-ZRDIBKRKSA-N
XLogP3.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 78771438
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 92674332
3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 912467
(E)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7719138
(E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]prop-2-enamide
CID 9481703
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 24635638
(E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-propan-2-ylprop-2-enamide
CID 19176949
(E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enamide
CID 9220124
(E)-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 8962900
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 912474
N-methyl-4-[(E)-3-[1-(2-methylphenyl)ethylamino]-3-oxoprop-1-enyl]benzamide
CID 134062005
3-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 3145412

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide (CID 51149237) is (E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NC(C)c2ccccc2C)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide?
The InChIKey is OYCBTQQZBZONNN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-7-5-6-8-17(14)15(2)21-20(22)12-10-16-9-11-18(23-3)19(13-16)24-4/h5-13,15H,1-4H3,(H,21,22)/b12-10+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide has a molecular weight of 325.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 51149237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).