N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide

C17H18N2O3 — CID 53093574

IUPACN-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
SMILESCCC(=O)N1CCc2cc(CNC(=O)c3ccco3)ccc21
InChIInChI=1S/C17H18N2O3/c1-2-16(20)19-8-7-13-10-12(5-6-14(13)19)11-18-17(21)15-4-3-9-22-15/h3-6,9-10H,2,7-8,11H2,1H3,(H,18,21)
InChIKeyHJDUXCHKTJFGEL-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.51
Rot. Bonds4

About N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide

N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide (PubChem CID 53093574) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
PubChem CID53093574
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
SMILESCCC(=O)N1CCc2cc(CNC(=O)c3ccco3)ccc21
InChIInChI=1S/C17H18N2O3/c1-2-16(20)19-8-7-13-10-12(5-6-14(13)19)11-18-17(21)15-4-3-9-22-15/h3-6,9-10H,2,7-8,11H2,1H3,(H,18,21)
InChIKeyHJDUXCHKTJFGEL-UHFFFAOYSA-N
XLogP2.51
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 110481071
3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 53093588
1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea
CID 53090025
3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide
CID 53043786
1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 95074914
1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 34499300
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 24761960
ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate
CID 53090008
1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide
CID 43049282
N-[3-(7-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-oxopropyl]furan-2-carboxamide
CID 126812802
ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate
CID 53090031
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide
CID 53092468

Frequently Asked Questions

What is the IUPAC name of N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide (CID 53093574) is N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide is CCC(=O)N1CCc2cc(CNC(=O)c3ccco3)ccc21.
What is the InChIKey of N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide?
The InChIKey is HJDUXCHKTJFGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-16(20)19-8-7-13-10-12(5-6-14(13)19)11-18-17(21)15-4-3-9-22-15/h3-6,9-10H,2,7-8,11H2,1H3,(H,18,21).
What are the key properties of N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide?
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 53093574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).