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

C23H23N3O3 — CID 18577516

IUPACN-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
SMILESO=C(NCc1ccccc1)C(=O)NCC(c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C23H23N3O3/c27-22(24-15-17-7-2-1-3-8-17)23(28)25-16-20(21-11-6-14-29-21)26-13-12-18-9-4-5-10-19(18)26/h1-11,14,20H,12-13,15-16H2,(H,24,27)(H,25,28)
InChIKeyOJUZCFAPRHPYQQ-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.82
Rot. Bonds6

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

N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide (PubChem CID 18577516) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
PubChem CID18577516
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
SMILESO=C(NCc1ccccc1)C(=O)NCC(c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C23H23N3O3/c27-22(24-15-17-7-2-1-3-8-17)23(28)25-16-20(21-11-6-14-29-21)26-13-12-18-9-4-5-10-19(18)26/h1-11,14,20H,12-13,15-16H2,(H,24,27)(H,25,28)
InChIKeyOJUZCFAPRHPYQQ-UHFFFAOYSA-N
XLogP2.82
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide
CID 7525363
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'-cyclopropyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7525396
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(2,2-dimethoxyethyl)oxamide
CID 18577527
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-hydroxypropyl)oxamide
CID 7525356
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-ethylphenyl)oxamide
CID 7179130
N'-(4-chlorophenyl)-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7179064
N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 41180929
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(2,6-dimethylphenyl)oxamide
CID 18577549
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 7178879
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 7179087

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
The IUPAC name of N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide (CID 18577516) is N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide.
What is the SMILES notation for N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
The canonical SMILES for N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide is O=C(NCc1ccccc1)C(=O)NCC(c1ccco1)N1CCc2ccccc21.
What is the InChIKey of N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
The InChIKey is OJUZCFAPRHPYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-22(24-15-17-7-2-1-3-8-17)23(28)25-16-20(21-11-6-14-29-21)26-13-12-18-9-4-5-10-19(18)26/h1-11,14,20H,12-13,15-16H2,(H,24,27)(H,25,28).
What are the key properties of N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide?
N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide has a molecular weight of 389.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide is sourced from PubChem (CID 18577516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).