(E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide

C20H21NO2 — CID 25470093

IUPAC(E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C20H21NO2/c1-23-18-11-8-16(9-12-18)10-13-19(22)21-20(14-5-15-20)17-6-3-2-4-7-17/h2-4,6-13H,5,14-15H2,1H3,(H,21,22)/b13-10+
InChIKeyJSBJGJPKVCLRSA-JLHYYAGUSA-N
MW307.39 g/mol
LogP3.90
Rot. Bonds5

About (E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide (PubChem CID 25470093) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide
PubChem CID25470093
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C20H21NO2/c1-23-18-11-8-16(9-12-18)10-13-19(22)21-20(14-5-15-20)17-6-3-2-4-7-17/h2-4,6-13H,5,14-15H2,1H3,(H,21,22)/b13-10+
InChIKeyJSBJGJPKVCLRSA-JLHYYAGUSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.90
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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Related Compounds

methyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate
CID 72685520
(E)-N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 115878144
(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 5399176
(E)-N-(1-phenylcyclobutyl)but-2-enamide
CID 110478044
N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide
CID 39997247
3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide
CID 76879485
1-[(4-methoxyphenyl)methyl]-3-(1-phenylcyclobutyl)urea
CID 113216924
(E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide
CID 51273013
3-[3-(4-methoxyphenyl)prop-2-enoylamino]thiolane-3-carboxylic acid
CID 76914780
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
3-methoxy-N-(1-phenylcyclobutyl)benzamide
CID 51273020

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide (CID 25470093) is (E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NC2(c3ccccc3)CCC2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide?
The InChIKey is JSBJGJPKVCLRSA-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H21NO2/c1-23-18-11-8-16(9-12-18)10-13-19(22)21-20(14-5-15-20)17-6-3-2-4-7-17/h2-4,6-13H,5,14-15H2,1H3,(H,21,22)/b13-10+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide has a molecular weight of 307.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide is sourced from PubChem (CID 25470093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).