N-[(Z)-3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

C26H23N3O3 — CID 45106404

IUPACN-[(Z)-3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESCCn1cc(/C=C(\NC(=O)c2ccco2)C(=O)N2CCc3ccccc32)c2ccccc21
InChIInChI=1S/C26H23N3O3/c1-2-28-17-19(20-9-4-6-11-23(20)28)16-21(27-25(30)24-12-7-15-32-24)26(31)29-14-13-18-8-3-5-10-22(18)29/h3-12,15-17H,2,13-14H2,1H3,(H,27,30)/b21-16-
InChIKeyMHFPQOBQYXLBGA-PGMHBOJBSA-N
MW425.49 g/mol
LogP4.61
Rot. Bonds5

About N-[(Z)-3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

N-[(Z)-3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 45106404) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[(Z)-3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
PubChem CID45106404
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-[(Z)-3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESCCn1cc(/C=C(\NC(=O)c2ccco2)C(=O)N2CCc3ccccc32)c2ccccc21
InChIInChI=1S/C26H23N3O3/c1-2-28-17-19(20-9-4-6-11-23(20)28)16-21(27-25(30)24-12-7-15-32-24)26(31)29-14-13-18-8-3-5-10-22(18)29/h3-12,15-17H,2,13-14H2,1H3,(H,27,30)/b21-16-
InChIKeyMHFPQOBQYXLBGA-PGMHBOJBSA-N
XLogP4.61
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 3986882
N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]furan-2-carboxamide
CID 46262183
N-[(Z)-3-(dipropylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 46262191
N-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2029098
N-[3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 4242051
N-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2029097
N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 46262083
N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide
CID 46262201
N-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 17038956
2-[3-[2-cyano-3-(2,3-dihydroindol-1-yl)-3-oxoprop-1-enyl]indol-1-yl]acetic acid
CID 67273865
N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-methoxybenzamide
CID 46262149
N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 46262181

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(Z)-3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (CID 45106404) is N-[(Z)-3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is CCn1cc(/C=C(\NC(=O)c2ccco2)C(=O)N2CCc3ccccc32)c2ccccc21.
What is the InChIKey of N-[(Z)-3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is MHFPQOBQYXLBGA-PGMHBOJBSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-2-28-17-19(20-9-4-6-11-23(20)28)16-21(27-25(30)24-12-7-15-32-24)26(31)29-14-13-18-8-3-5-10-22(18)29/h3-12,15-17H,2,13-14H2,1H3,(H,27,30)/b21-16-.
What are the key properties of N-[(Z)-3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
N-[(Z)-3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 45106404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).