(E)-3-(4-but-3-en-2-yloxy-3-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide

C21H23NO3 — CID 122498377

IUPAC(E)-3-(4-but-3-en-2-yloxy-3-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide
SMILESC=CC(C)Oc1ccc(/C=C/C(=O)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C21H23NO3/c1-5-16(3)25-19-12-8-17(14-20(19)24-4)9-13-21(23)22-18-10-6-15(2)7-11-18/h5-14,16H,1H2,2-4H3,(H,22,23)/b13-9+
InChIKeyGATIAEBKADZHEQ-UKTHLTGXSA-N
MW337.42 g/mol
LogP4.61
Rot. Bonds7

About (E)-3-(4-but-3-en-2-yloxy-3-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide

(E)-3-(4-but-3-en-2-yloxy-3-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide (PubChem CID 122498377) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (E)-3-(4-but-3-en-2-yloxy-3-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-but-3-en-2-yloxy-3-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide
PubChem CID122498377
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(E)-3-(4-but-3-en-2-yloxy-3-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide
SMILESC=CC(C)Oc1ccc(/C=C/C(=O)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C21H23NO3/c1-5-16(3)25-19-12-8-17(14-20(19)24-4)9-13-21(23)22-18-10-6-15(2)7-11-18/h5-14,16H,1H2,2-4H3,(H,22,23)/b13-9+
InChIKeyGATIAEBKADZHEQ-UKTHLTGXSA-N
XLogP4.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 967235
4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzamide
CID 8885040
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 2666277
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3,5-dimethylphenyl)prop-2-enamide
CID 7961050
N-(4-acetamidophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 3454977
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-methylphenyl)carbamothioyl]prop-2-enamide
CID 6308317
N-(3-chloro-4-methoxyphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 4583429
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 4157604
(E)-N-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 7914176
(E)-N-(2-fluoro-4-methylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 26699608
(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]prop-2-enamide
CID 9493553
(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-but-3-en-2-yloxy-3-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-but-3-en-2-yloxy-3-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide (CID 122498377) is (E)-3-(4-but-3-en-2-yloxy-3-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-but-3-en-2-yloxy-3-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-but-3-en-2-yloxy-3-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide is C=CC(C)Oc1ccc(/C=C/C(=O)Nc2ccc(C)cc2)cc1OC.
What is the InChIKey of (E)-3-(4-but-3-en-2-yloxy-3-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is GATIAEBKADZHEQ-UKTHLTGXSA-N. The full InChI is InChI=1S/C21H23NO3/c1-5-16(3)25-19-12-8-17(14-20(19)24-4)9-13-21(23)22-18-10-6-15(2)7-11-18/h5-14,16H,1H2,2-4H3,(H,22,23)/b13-9+.
What are the key properties of (E)-3-(4-but-3-en-2-yloxy-3-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide?
(E)-3-(4-but-3-en-2-yloxy-3-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide has a molecular weight of 337.42 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-but-3-en-2-yloxy-3-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 122498377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).