(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide

C22H23NO2 — CID 24614598

IUPAC(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C22H23NO2/c24-21(10-8-17-7-9-20-18(15-17)11-14-25-20)23-16-22(12-4-13-22)19-5-2-1-3-6-19/h1-3,5-10,15H,4,11-14,16H2,(H,23,24)/b10-8+
InChIKeyBMRZNRDBKKBVAN-CSKARUKUSA-N
MW333.43 g/mol
LogP3.87
Rot. Bonds5

About (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide (PubChem CID 24614598) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide
PubChem CID24614598
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C22H23NO2/c24-21(10-8-17-7-9-20-18(15-17)11-14-25-20)23-16-22(12-4-13-22)19-5-2-1-3-6-19/h1-3,5-10,15H,4,11-14,16H2,(H,23,24)/b10-8+
InChIKeyBMRZNRDBKKBVAN-CSKARUKUSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.87
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

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide
CID 17460201
N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide
CID 38206239
(E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide
CID 24614536
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-methylphenyl)methyl]prop-2-enamide
CID 34166778
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 104857759
(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 5399176
(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide
CID 110477964
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 51298671
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide
CID 24617872
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]prop-2-enamide
CID 35211768
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide
CID 103713325
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1H-imidazol-2-ylmethyl)prop-2-enamide
CID 77022025

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide (CID 24614598) is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)CCO2)NCC1(c2ccccc2)CCC1.
What is the InChIKey of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide?
The InChIKey is BMRZNRDBKKBVAN-CSKARUKUSA-N. The full InChI is InChI=1S/C22H23NO2/c24-21(10-8-17-7-9-20-18(15-17)11-14-25-20)23-16-22(12-4-13-22)19-5-2-1-3-6-19/h1-3,5-10,15H,4,11-14,16H2,(H,23,24)/b10-8+.
What are the key properties of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide?
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide has a molecular weight of 333.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide is sourced from PubChem (CID 24614598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).