3-(5-ethylfuran-2-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]but-2-enamide

C21H24N2O3 — CID 4972520

IUPAC3-(5-ethylfuran-2-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]but-2-enamide
SMILESCCc1ccc(C(C)=CC(=O)NCCc2c[nH]c3cc(OC)ccc23)o1
InChIInChI=1S/C21H24N2O3/c1-4-16-6-8-20(26-16)14(2)11-21(24)22-10-9-15-13-23-19-12-17(25-3)5-7-18(15)19/h5-8,11-13,23H,4,9-10H2,1-3H3,(H,22,24)
InChIKeyCJUIFGHVMMYHFZ-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.09
Rot. Bonds7

About 3-(5-ethylfuran-2-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]but-2-enamide

3-(5-ethylfuran-2-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]but-2-enamide (PubChem CID 4972520) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-(5-ethylfuran-2-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]but-2-enamide.

Molecular Properties

Compound Name3-(5-ethylfuran-2-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]but-2-enamide
PubChem CID4972520
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-(5-ethylfuran-2-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]but-2-enamide
SMILESCCc1ccc(C(C)=CC(=O)NCCc2c[nH]c3cc(OC)ccc23)o1
InChIInChI=1S/C21H24N2O3/c1-4-16-6-8-20(26-16)14(2)11-21(24)22-10-9-15-13-23-19-12-17(25-3)5-7-18(15)19/h5-8,11-13,23H,4,9-10H2,1-3H3,(H,22,24)
InChIKeyCJUIFGHVMMYHFZ-UHFFFAOYSA-N
XLogP4.09
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-(5-methylfuran-2-yl)propanamide
CID 4893594
5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 4900829
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 699102
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide
CID 4887560
[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate
CID 169222411
N-[(4-chlorophenyl)methyl]-2-(6-methoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 17053017
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
6-fluoro-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 4971919
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide
CID 4898664
N-[(4-chlorophenyl)methyl]-2-(6-methoxy-1H-indol-3-yl)ethanamine
CID 17053018
2-[2-(6-methoxy-1H-indol-3-yl)ethylamino]acetonitrile
CID 19837019
N-[2-(1H-indol-3-yl)ethyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210779

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylfuran-2-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]but-2-enamide?
The IUPAC name of 3-(5-ethylfuran-2-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]but-2-enamide (CID 4972520) is 3-(5-ethylfuran-2-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]but-2-enamide.
What is the SMILES notation for 3-(5-ethylfuran-2-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]but-2-enamide?
The canonical SMILES for 3-(5-ethylfuran-2-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]but-2-enamide is CCc1ccc(C(C)=CC(=O)NCCc2c[nH]c3cc(OC)ccc23)o1.
What is the InChIKey of 3-(5-ethylfuran-2-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]but-2-enamide?
The InChIKey is CJUIFGHVMMYHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-4-16-6-8-20(26-16)14(2)11-21(24)22-10-9-15-13-23-19-12-17(25-3)5-7-18(15)19/h5-8,11-13,23H,4,9-10H2,1-3H3,(H,22,24).
What are the key properties of 3-(5-ethylfuran-2-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]but-2-enamide?
3-(5-ethylfuran-2-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]but-2-enamide has a molecular weight of 352.43 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylfuran-2-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]but-2-enamide is sourced from PubChem (CID 4972520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).