1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide

C18H19N3O4 — CID 43049282

IUPAC1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NCCNC(=O)c3ccco3)ccc21
InChIInChI=1S/C18H19N3O4/c1-12(22)21-9-6-13-11-14(4-5-15(13)21)17(23)19-7-8-20-18(24)16-3-2-10-25-16/h2-5,10-11H,6-9H2,1H3,(H,19,23)(H,20,24)
InChIKeyMXOOUDQEIHYSDN-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.35
Rot. Bonds5

About 1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 43049282) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide
PubChem CID43049282
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NCCNC(=O)c3ccco3)ccc21
InChIInChI=1S/C18H19N3O4/c1-12(22)21-9-6-13-11-14(4-5-15(13)21)17(23)19-7-8-20-18(24)16-3-2-10-25-16/h2-5,10-11H,6-9H2,1H3,(H,19,23)(H,20,24)
InChIKeyMXOOUDQEIHYSDN-UHFFFAOYSA-N
XLogP1.35
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 34499300
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 78800817
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119259944
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
2-[[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]methyl]-3-phenylpropanoic acid
CID 119233763
N-[2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110984363
1-acetyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 46412762
benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate
CID 30581650
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 53093574
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 110481071
1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 24550296

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide (CID 43049282) is 1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)NCCNC(=O)c3ccco3)ccc21.
What is the InChIKey of 1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is MXOOUDQEIHYSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12(22)21-9-6-13-11-14(4-5-15(13)21)17(23)19-7-8-20-18(24)16-3-2-10-25-16/h2-5,10-11H,6-9H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 43049282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).