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

C24H29N3O3 — CID 46262191

IUPACN-[(Z)-3-(dipropylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESCCCN(CCC)C(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1ccco1
InChIInChI=1S/C24H29N3O3/c1-4-13-27(14-5-2)24(29)20(25-23(28)22-12-9-15-30-22)16-18-17-26(6-3)21-11-8-7-10-19(18)21/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,25,28)/b20-16-
InChIKeyOLKQFFUEWITBBP-SILNSSARSA-N
MW407.51 g/mol
LogP4.67
Rot. Bonds9

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

N-[(Z)-3-(dipropylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 46262191) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[(Z)-3-(dipropylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-3-(dipropylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
PubChem CID46262191
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[(Z)-3-(dipropylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESCCCN(CCC)C(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1ccco1
InChIInChI=1S/C24H29N3O3/c1-4-13-27(14-5-2)24(29)20(25-23(28)22-12-9-15-30-22)16-18-17-26(6-3)21-11-8-7-10-19(18)21/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,25,28)/b20-16-
InChIKeyOLKQFFUEWITBBP-SILNSSARSA-N
XLogP4.67
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]furan-2-carboxamide
CID 46262183
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-[(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-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2029097
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
N-[(Z)-1-(1-ethylindol-3-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 46262157
N-[(Z)-3-(benzylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 46262121
N-[1-[1-(dimethylsulfamoyl)indol-3-yl]-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 4859971
N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 46262083
2-chloro-N-[(Z)-1-(1-ethylindol-3-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 46262104
N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5226486

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(dipropylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(Z)-3-(dipropylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (CID 46262191) is N-[(Z)-3-(dipropylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-3-(dipropylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-3-(dipropylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is CCCN(CCC)C(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1ccco1.
What is the InChIKey of N-[(Z)-3-(dipropylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is OLKQFFUEWITBBP-SILNSSARSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-13-27(14-5-2)24(29)20(25-23(28)22-12-9-15-30-22)16-18-17-26(6-3)21-11-8-7-10-19(18)21/h7-12,15-17H,4-6,13-14H2,1-3H3,(H,25,28)/b20-16-.
What are the key properties of N-[(Z)-3-(dipropylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
N-[(Z)-3-(dipropylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(dipropylamino)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46262191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).