N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide

C18H19N3O4 — CID 78800817

IUPACN-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)CCNC(=O)c3ccco3)ccc21
InChIInChI=1S/C18H19N3O4/c1-12(22)21-9-7-13-11-14(4-5-15(13)21)20-17(23)6-8-19-18(24)16-3-2-10-25-16/h2-5,10-11H,6-9H2,1H3,(H,19,24)(H,20,23)
InChIKeyQCXYSNBVGNGROP-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.95
Rot. Bonds5

About N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 78800817) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID78800817
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)CCNC(=O)c3ccco3)ccc21
InChIInChI=1S/C18H19N3O4/c1-12(22)21-9-7-13-11-14(4-5-15(13)21)20-17(23)6-8-19-18(24)16-3-2-10-25-16/h2-5,10-11H,6-9H2,1H3,(H,19,24)(H,20,23)
InChIKeyQCXYSNBVGNGROP-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydroindole-5-carboxamide
CID 43049282
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 30495442
1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 34499300
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 3-(furan-2-yl)propanoate
CID 30017533
N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide
CID 27838033
N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 17406094
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide (CID 78800817) is N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide is CC(=O)N1CCc2cc(NC(=O)CCNC(=O)c3ccco3)ccc21.
What is the InChIKey of N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is QCXYSNBVGNGROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12(22)21-9-7-13-11-14(4-5-15(13)21)20-17(23)6-8-19-18(24)16-3-2-10-25-16/h2-5,10-11H,6-9H2,1H3,(H,19,24)(H,20,23).
What are the key properties of N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 78800817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).