N'-(3-acetamidophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide

C24H24N4O4 — CID 41181106

IUPACN'-(3-acetamidophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)c1
InChIInChI=1S/C24H24N4O4/c1-16(29)26-18-7-4-8-19(14-18)27-24(31)23(30)25-15-21(22-10-5-13-32-22)28-12-11-17-6-2-3-9-20(17)28/h2-10,13-14,21H,11-12,15H2,1H3,(H,25,30)(H,26,29)(H,27,31)/t21-/m1/s1
InChIKeyBIGAENFFGAKTPF-OAQYLSRUSA-N
MW432.48 g/mol
LogP3.10
Rot. Bonds6

About N'-(3-acetamidophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide

N'-(3-acetamidophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide (PubChem CID 41181106) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N'-(3-acetamidophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-acetamidophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
PubChem CID41181106
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN'-(3-acetamidophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)c1
InChIInChI=1S/C24H24N4O4/c1-16(29)26-18-7-4-8-19(14-18)27-24(31)23(30)25-15-21(22-10-5-13-32-22)28-12-11-17-6-2-3-9-20(17)28/h2-10,13-14,21H,11-12,15H2,1H3,(H,25,30)(H,26,29)(H,27,31)/t21-/m1/s1
InChIKeyBIGAENFFGAKTPF-OAQYLSRUSA-N
XLogP3.10
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 7179087
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-ethylphenyl)oxamide
CID 7179130
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 41180939
N'-(4-chlorophenyl)-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7179064
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(2,6-dimethylphenyl)oxamide
CID 18577549
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide
CID 41180936
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-propan-2-yloxamide
CID 7525394
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-propan-2-yloxamide
CID 7525395
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(2,2-dimethoxyethyl)oxamide
CID 18577527
N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 18577516
N'-(2,4-difluorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 18577544
N'-cyclopropyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7525396

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetamidophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
The IUPAC name of N'-(3-acetamidophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide (CID 41181106) is N'-(3-acetamidophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(3-acetamidophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(3-acetamidophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide is CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)c1.
What is the InChIKey of N'-(3-acetamidophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
The InChIKey is BIGAENFFGAKTPF-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-16(29)26-18-7-4-8-19(14-18)27-24(31)23(30)25-15-21(22-10-5-13-32-22)28-12-11-17-6-2-3-9-20(17)28/h2-10,13-14,21H,11-12,15H2,1H3,(H,25,30)(H,26,29)(H,27,31)/t21-/m1/s1.
What are the key properties of N'-(3-acetamidophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
N'-(3-acetamidophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide has a molecular weight of 432.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetamidophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide is sourced from PubChem (CID 41181106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).