2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide

C20H26N2O2 — CID 56562145

IUPAC2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide
SMILESCCCCCNC(=O)c1ccoc1CN1c2ccccc2CC1C
InChIInChI=1S/C20H26N2O2/c1-3-4-7-11-21-20(23)17-10-12-24-19(17)14-22-15(2)13-16-8-5-6-9-18(16)22/h5-6,8-10,12,15H,3-4,7,11,13-14H2,1-2H3,(H,21,23)
InChIKeyCTBKJSJAMVNWEX-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.15
Rot. Bonds7

About 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide

2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide (PubChem CID 56562145) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide.

Molecular Properties

Compound Name2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide
PubChem CID56562145
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide
SMILESCCCCCNC(=O)c1ccoc1CN1c2ccccc2CC1C
InChIInChI=1S/C20H26N2O2/c1-3-4-7-11-21-20(23)17-10-12-24-19(17)14-22-15(2)13-16-8-5-6-9-18(16)22/h5-6,8-10,12,15H,3-4,7,11,13-14H2,1-2H3,(H,21,23)
InChIKeyCTBKJSJAMVNWEX-UHFFFAOYSA-N
XLogP4.15
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide
CID 56567369
N-(3-aminobutyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 119496457
N-[3-(4-hydroxyphenyl)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 86972734
methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate
CID 95274797
N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 120830812
N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride
CID 120830811
N-[[4-(butanoylamino)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56566955
(2R)-2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]propanoic acid
CID 119369916
N-butyl-1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidine-3-carboxamide
CID 56566015
N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56565449
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56560988
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[(2-propoxy-3-pyridinyl)methyl]furan-3-carboxamide
CID 56566691

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide?
The IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide (CID 56562145) is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide.
What is the SMILES notation for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide?
The canonical SMILES for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide is CCCCCNC(=O)c1ccoc1CN1c2ccccc2CC1C.
What is the InChIKey of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide?
The InChIKey is CTBKJSJAMVNWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-4-7-11-21-20(23)17-10-12-24-19(17)14-22-15(2)13-16-8-5-6-9-18(16)22/h5-6,8-10,12,15H,3-4,7,11,13-14H2,1-2H3,(H,21,23).
What are the key properties of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide?
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide is sourced from PubChem (CID 56562145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).