N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide

C20H21N3O3 — CID 46262201

IUPACN-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide
SMILESCCCNC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccco1
InChIInChI=1S/C20H21N3O3/c1-3-10-21-19(24)16(22-20(25)18-9-6-11-26-18)12-14-13-23(2)17-8-5-4-7-15(14)17/h4-9,11-13H,3,10H2,1-2H3,(H,21,24)(H,22,25)/b16-12-
InChIKeyOHVNRXARTIKMJV-VBKFSLOCSA-N
MW351.41 g/mol
LogP3.07
Rot. Bonds6

About N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide

N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide (PubChem CID 46262201) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide
PubChem CID46262201
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide
SMILESCCCNC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccco1
InChIInChI=1S/C20H21N3O3/c1-3-10-21-19(24)16(22-20(25)18-9-6-11-26-18)12-14-13-23(2)17-8-5-4-7-15(14)17/h4-9,11-13H,3,10H2,1-2H3,(H,21,24)(H,22,25)/b16-12-
InChIKeyOHVNRXARTIKMJV-VBKFSLOCSA-N
XLogP3.07
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
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-(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-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-(5-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 17038956
N-[3-(2-hydroxyethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 3750925
N-[(Z)-3-(2-hydroxyethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 46262195
N-[2-(1-methylindol-3-yl)ethyl]furan-2-carboxamide
CID 45069388
N-[3-[2-(1H-indol-3-yl)ethylamino]-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 3844321
N-[3-[2-(diethylamino)ethylamino]-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
CID 3887374
N-[(Z)-3-(2,3-dihydroindol-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 45106404
2-(1-methylindol-3-yl)-2-oxo-N-propylacetamide
CID 113207654

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide (CID 46262201) is N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide is CCCNC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccco1.
What is the InChIKey of N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is OHVNRXARTIKMJV-VBKFSLOCSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-10-21-19(24)16(22-20(25)18-9-6-11-26-18)12-14-13-23(2)17-8-5-4-7-15(14)17/h4-9,11-13H,3,10H2,1-2H3,(H,21,24)(H,22,25)/b16-12-.
What are the key properties of N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide?
N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1-methylindol-3-yl)-3-oxo-3-(propylamino)prop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46262201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).