(E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide

C20H23NO2 — CID 749814

IUPAC(E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H23NO2/c1-20(2,3)16-12-9-15(10-13-16)11-14-19(22)21-17-7-5-6-8-18(17)23-4/h5-14H,1-4H3,(H,21,22)/b14-11+
InChIKeyLVSMGZPRGNASEC-SDNWHVSQSA-N
MW309.41 g/mol
LogP4.64
Rot. Bonds4

About (E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide

(E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide (PubChem CID 749814) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide
PubChem CID749814
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H23NO2/c1-20(2,3)16-12-9-15(10-13-16)11-14-19(22)21-17-7-5-6-8-18(17)23-4/h5-14H,1-4H3,(H,21,22)/b14-11+
InChIKeyLVSMGZPRGNASEC-SDNWHVSQSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide (CID 749814) is (E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is LVSMGZPRGNASEC-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H23NO2/c1-20(2,3)16-12-9-15(10-13-16)11-14-19(22)21-17-7-5-6-8-18(17)23-4/h5-14H,1-4H3,(H,21,22)/b14-11+.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 309.41 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)-N-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 749814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).