2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide

C21H28N2O2 — CID 56567369

IUPAC2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide
SMILESCC(C)CCCNC(=O)c1ccoc1CN1c2ccccc2CC1C
InChIInChI=1S/C21H28N2O2/c1-15(2)7-6-11-22-21(24)18-10-12-25-20(18)14-23-16(3)13-17-8-4-5-9-19(17)23/h4-5,8-10,12,15-16H,6-7,11,13-14H2,1-3H3,(H,22,24)
InChIKeyUZZMJOGGFYCXSY-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.40
Rot. Bonds7

About 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide

2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide (PubChem CID 56567369) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide
PubChem CID56567369
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide
SMILESCC(C)CCCNC(=O)c1ccoc1CN1c2ccccc2CC1C
InChIInChI=1S/C21H28N2O2/c1-15(2)7-6-11-22-21(24)18-10-12-25-20(18)14-23-16(3)13-17-8-4-5-9-19(17)23/h4-5,8-10,12,15-16H,6-7,11,13-14H2,1-3H3,(H,22,24)
InChIKeyUZZMJOGGFYCXSY-UHFFFAOYSA-N
XLogP4.40
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 119496457
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide
CID 56562145
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-[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
(2R)-2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]propanoic acid
CID 119369916
N-[(4-bromothiophen-2-yl)methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56565449
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56564349
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56560988
2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid
CID 119346292
N-[[3-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56561737

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide?
The IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide (CID 56567369) is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide.
What is the SMILES notation for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide?
The canonical SMILES for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide is CC(C)CCCNC(=O)c1ccoc1CN1c2ccccc2CC1C.
What is the InChIKey of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide?
The InChIKey is UZZMJOGGFYCXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15(2)7-6-11-22-21(24)18-10-12-25-20(18)14-23-16(3)13-17-8-4-5-9-19(17)23/h4-5,8-10,12,15-16H,6-7,11,13-14H2,1-3H3,(H,22,24).
What are the key properties of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide?
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.40, 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-(4-methylpentyl)furan-3-carboxamide is sourced from PubChem (CID 56567369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).