(E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide

C21H21NO4 — CID 78890942

IUPAC(E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
SMILESCOCCOc1cccc(CNC(=O)/C=C/c2cc3ccccc3o2)c1
InChIInChI=1S/C21H21NO4/c1-24-11-12-25-18-7-4-5-16(13-18)15-22-21(23)10-9-19-14-17-6-2-3-8-20(17)26-19/h2-10,13-14H,11-12,15H2,1H3,(H,22,23)/b10-9+
InChIKeyYNHGCWMBTZIFEC-MDZDMXLPSA-N
MW351.40 g/mol
LogP3.79
Rot. Bonds8

About (E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide

(E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide (PubChem CID 78890942) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is (E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
PubChem CID78890942
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name(E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
SMILESCOCCOc1cccc(CNC(=O)/C=C/c2cc3ccccc3o2)c1
InChIInChI=1S/C21H21NO4/c1-24-11-12-25-18-7-4-5-16(13-18)15-22-21(23)10-9-19-14-17-6-2-3-8-20(17)26-19/h2-10,13-14H,11-12,15H2,1H3,(H,22,23)/b10-9+
InChIKeyYNHGCWMBTZIFEC-MDZDMXLPSA-N
XLogP3.79
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-3-(6-methyl-1-benzofuran-2-yl)prop-2-enamide
CID 51370904
methyl 3-(1-benzofuran-2-yl)prop-2-enoate
CID 1479261
(E)-3-(1-benzofuran-2-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one
CID 118909526
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
CID 55697866
N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46487608
2-(4-aminophenyl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119723299
(E)-3-(1-benzofuran-2-yl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]prop-2-enamide
CID 33319012
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
(E)-3-(2-bromophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 9495750
N-[(3-ethoxyphenyl)methyl]but-2-enamide
CID 112728923
3-(4-methoxyphenyl)-N-[[3-[[3-(4-methoxyphenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 1011377
2-benzyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801218

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide (CID 78890942) is (E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide is COCCOc1cccc(CNC(=O)/C=C/c2cc3ccccc3o2)c1.
What is the InChIKey of (E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide?
The InChIKey is YNHGCWMBTZIFEC-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H21NO4/c1-24-11-12-25-18-7-4-5-16(13-18)15-22-21(23)10-9-19-14-17-6-2-3-8-20(17)26-19/h2-10,13-14H,11-12,15H2,1H3,(H,22,23)/b10-9+.
What are the key properties of (E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide?
(E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide has a molecular weight of 351.40 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 78890942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).