3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide

C20H22N2O3 — CID 8713953

IUPAC3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide
SMILESCOc1ccc(/C=C/C(=O)NCCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C20H22N2O3/c1-15-5-3-4-6-18(15)22-20(24)13-14-21-19(23)12-9-16-7-10-17(25-2)11-8-16/h3-12H,13-14H2,1-2H3,(H,21,23)(H,22,24)/b12-9+
InChIKeyWYDXXKFSKXBFHN-FMIVXFBMSA-N
MW338.41 g/mol
LogP3.16
Rot. Bonds7

About 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide

3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide (PubChem CID 8713953) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide
PubChem CID8713953
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide
SMILESCOc1ccc(/C=C/C(=O)NCCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C20H22N2O3/c1-15-5-3-4-6-18(15)22-20(24)13-14-21-19(23)12-9-16-7-10-17(25-2)11-8-16/h3-12H,13-14H2,1-2H3,(H,21,23)(H,22,24)/b12-9+
InChIKeyWYDXXKFSKXBFHN-FMIVXFBMSA-N
XLogP3.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
N-(2,4-difluorophenyl)-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 9165074
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
N-(4-chloro-2-fluorophenyl)-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 9097418
N-(4-bromo-3-methylphenyl)-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 9095951
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 2097972
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
4-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]benzamide
CID 8884640
N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 668253
(E)-N-(2-chloroethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6434079
(E)-3-(4-methoxyphenyl)-N-[3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-oxopropyl]prop-2-enamide
CID 8642433
4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 24705756

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide (CID 8713953) is 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide is COc1ccc(/C=C/C(=O)NCCC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide?
The InChIKey is WYDXXKFSKXBFHN-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15-5-3-4-6-18(15)22-20(24)13-14-21-19(23)12-9-16-7-10-17(25-2)11-8-16/h3-12H,13-14H2,1-2H3,(H,21,23)(H,22,24)/b12-9+.
What are the key properties of 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide?
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 8713953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).