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

C25H27N3O3 — CID 7525363

IUPACN'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide
SMILESO=C(NCCCc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C25H27N3O3/c29-24(26-15-6-10-19-8-2-1-3-9-19)25(30)27-18-22(23-13-7-17-31-23)28-16-14-20-11-4-5-12-21(20)28/h1-5,7-9,11-13,17,22H,6,10,14-16,18H2,(H,26,29)(H,27,30)/t22-/m1/s1
InChIKeyBVQSJNPDVFIUGQ-JOCHJYFZSA-N
MW417.51 g/mol
LogP3.25
Rot. Bonds8

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

N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide (PubChem CID 7525363) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide
PubChem CID7525363
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide
SMILESO=C(NCCCc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21
InChIInChI=1S/C25H27N3O3/c29-24(26-15-6-10-19-8-2-1-3-9-19)25(30)27-18-22(23-13-7-17-31-23)28-16-14-20-11-4-5-12-21(20)28/h1-5,7-9,11-13,17,22H,6,10,14-16,18H2,(H,26,29)(H,27,30)/t22-/m1/s1
InChIKeyBVQSJNPDVFIUGQ-JOCHJYFZSA-N
XLogP3.25
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hydroxypropyl)oxamide
CID 7525356
N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 18577516
N-[2-(4-chlorophenyl)ethyl]-N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 41180929
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41180935
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'-(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-(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

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide?
The IUPAC name of N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide (CID 7525363) is N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide.
What is the SMILES notation for N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide?
The canonical SMILES for N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide is O=C(NCCCc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21.
What is the InChIKey of N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide?
The InChIKey is BVQSJNPDVFIUGQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-24(26-15-6-10-19-8-2-1-3-9-19)25(30)27-18-22(23-13-7-17-31-23)28-16-14-20-11-4-5-12-21(20)28/h1-5,7-9,11-13,17,22H,6,10,14-16,18H2,(H,26,29)(H,27,30)/t22-/m1/s1.
What are the key properties of N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide?
N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide has a molecular weight of 417.51 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide is sourced from PubChem (CID 7525363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).