(E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide

C21H20N2O3 — CID 9368140

IUPAC(E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESC[C@@H](NC(=O)CNC(=O)/C=C/c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C21H20N2O3/c1-15(19-13-17-9-5-6-10-18(17)26-19)23-21(25)14-22-20(24)12-11-16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,22,24)(H,23,25)/b12-11+/t15-/m1/s1
InChIKeyNPWLVNOOCVELAL-AYJWMTRPSA-N
MW348.40 g/mol
LogP3.44
Rot. Bonds6

About (E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide

(E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 9368140) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID9368140
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESC[C@@H](NC(=O)CNC(=O)/C=C/c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C21H20N2O3/c1-15(19-13-17-9-5-6-10-18(17)26-19)23-21(25)14-22-20(24)12-11-16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,22,24)(H,23,25)/b12-11+/t15-/m1/s1
InChIKeyNPWLVNOOCVELAL-AYJWMTRPSA-N
XLogP3.44
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide with MolForge

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Related Compounds

(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-phenylprop-2-enamide
CID 9365900
(E)-N-[1-(1-benzofuran-2-yl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 46612704
4-[(E)-3-[1-(1-benzofuran-2-yl)ethylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 46556383
(E)-N-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 134047555
2-(benzhydrylamino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8596608
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46531576
N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9367319
2-[[N-[1-(1-benzofuran-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119133303
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
(E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9220038
2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 64618561

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide (CID 9368140) is (E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide is C[C@@H](NC(=O)CNC(=O)/C=C/c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of (E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is NPWLVNOOCVELAL-AYJWMTRPSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15(19-13-17-9-5-6-10-18(17)26-19)23-21(25)14-22-20(24)12-11-16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,22,24)(H,23,25)/b12-11+/t15-/m1/s1.
What are the key properties of (E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
(E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 348.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 9368140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).