N-but-2-ynyl-2-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide

C25H31N3O2 — CID 29022593

IUPACN-but-2-ynyl-2-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide
SMILESCC#CCN(Cc1ccco1)C(=O)C1(N2CCN(CC)CC2)Cc2ccccc2C1
InChIInChI=1S/C25H31N3O2/c1-3-5-12-27(20-23-11-8-17-30-23)24(29)25(28-15-13-26(4-2)14-16-28)18-21-9-6-7-10-22(21)19-25/h6-11,17H,4,12-16,18-20H2,1-2H3
InChIKeyRHBSMHJLSARNQX-UHFFFAOYSA-N
MW405.54 g/mol
LogP2.81
Rot. Bonds6

About N-but-2-ynyl-2-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide

N-but-2-ynyl-2-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide (PubChem CID 29022593) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-but-2-ynyl-2-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-but-2-ynyl-2-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide
PubChem CID29022593
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-but-2-ynyl-2-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide
SMILESCC#CCN(Cc1ccco1)C(=O)C1(N2CCN(CC)CC2)Cc2ccccc2C1
InChIInChI=1S/C25H31N3O2/c1-3-5-12-27(20-23-11-8-17-30-23)24(29)25(28-15-13-26(4-2)14-16-28)18-21-9-6-7-10-22(21)19-25/h6-11,17H,4,12-16,18-20H2,1-2H3
InChIKeyRHBSMHJLSARNQX-UHFFFAOYSA-N
XLogP2.81
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-but-2-ynyl-2-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide with MolForge

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Related Compounds

ethyl 2-[[2-(4-ethylpiperazin-1-yl)-1,3-dihydroindene-2-carbonyl]-methylamino]acetate
CID 45245413
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)acetamide
CID 113118002
2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroindene-2-carboxamide
CID 28909504
N-but-2-ynyl-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(furan-2-ylmethyl)benzamide
CID 42122370
N-(furan-2-ylmethyl)-3-methyl-1-oxo-N-(thiophen-2-ylmethyl)-4H-isochromene-3-carboxamide
CID 78791743
N-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride
CID 142778722
N-(furan-2-ylmethyl)-3-methyl-1-oxo-N-phenyl-4H-isochromene-3-carboxamide
CID 55448018
(3R)-N-ethyl-N-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61164515
3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide
CID 42703548
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea
CID 52541821
N-ethyl-N-(furan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76894894

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-2-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-but-2-ynyl-2-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide (CID 29022593) is N-but-2-ynyl-2-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-but-2-ynyl-2-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-but-2-ynyl-2-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide is CC#CCN(Cc1ccco1)C(=O)C1(N2CCN(CC)CC2)Cc2ccccc2C1.
What is the InChIKey of N-but-2-ynyl-2-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide?
The InChIKey is RHBSMHJLSARNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-3-5-12-27(20-23-11-8-17-30-23)24(29)25(28-15-13-26(4-2)14-16-28)18-21-9-6-7-10-22(21)19-25/h6-11,17H,4,12-16,18-20H2,1-2H3.
What are the key properties of N-but-2-ynyl-2-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide?
N-but-2-ynyl-2-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-2-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 29022593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).