N-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

C24H29N4O4+ — CID 2029097

IUPACN-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESCCn1cc(/C=C(\NC(=O)c2ccco2)C(=O)NCC[NH+]2CCOCC2)c2ccccc21
InChIInChI=1S/C24H28N4O4/c1-2-28-17-18(19-6-3-4-7-21(19)28)16-20(26-24(30)22-8-5-13-32-22)23(29)25-9-10-27-11-14-31-15-12-27/h3-8,13,16-17H,2,9-12,14-15H2,1H3,(H,25,29)(H,26,30)/p+1/b20-16-
InChIKeyJMHLXWXVUPDJIA-SILNSSARSA-O
MW437.52 g/mol
LogP1.06
Rot. Bonds8

About N-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

N-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 2029097) has the molecular formula C24H29N4O4+ and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
PubChem CID2029097
Molecular FormulaC24H29N4O4+
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC NameN-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESCCn1cc(/C=C(\NC(=O)c2ccco2)C(=O)NCC[NH+]2CCOCC2)c2ccccc21
InChIInChI=1S/C24H28N4O4/c1-2-28-17-18(19-6-3-4-7-21(19)28)16-20(26-24(30)22-8-5-13-32-22)23(29)25-9-10-27-11-14-31-15-12-27/h3-8,13,16-17H,2,9-12,14-15H2,1H3,(H,25,29)(H,26,30)/p+1/b20-16-
InChIKeyJMHLXWXVUPDJIA-SILNSSARSA-O
XLogP1.06
TPSA89.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2029098
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)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide
CID 46262201
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-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 17038956
N-[(Z)-3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 45106404
N-(2-morpholin-4-ium-4-ylethyl)furan-2-carboxamide
CID 7720034
N-[(Z)-3-(benzylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 46262121
N-[(Z)-1-(1-ethylindol-3-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 46262157
N-[(Z)-1-(1-ethylindol-3-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 46262137
N-[(Z)-1-(4-chlorophenyl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 7405192
N-[3-[2-(diethylamino)ethylamino]-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 3562693

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of 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) is N-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is CCn1cc(/C=C(\NC(=O)c2ccco2)C(=O)NCC[NH+]2CCOCC2)c2ccccc21.
What is the InChIKey of N-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is JMHLXWXVUPDJIA-SILNSSARSA-O. The full InChI is InChI=1S/C24H28N4O4/c1-2-28-17-18(19-6-3-4-7-21(19)28)16-20(26-24(30)22-8-5-13-32-22)23(29)25-9-10-27-11-14-31-15-12-27/h3-8,13,16-17H,2,9-12,14-15H2,1H3,(H,25,29)(H,26,30)/p+1/b20-16-.
What are the key properties of N-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
N-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 1.06, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1-ethylindol-3-yl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2029097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).