N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide

C22H20N4O5 — CID 41180936

IUPACN-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide
SMILESO=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H20N4O5/c27-21(22(28)24-16-7-9-17(10-8-16)26(29)30)23-14-19(20-6-3-13-31-20)25-12-11-15-4-1-2-5-18(15)25/h1-10,13,19H,11-12,14H2,(H,23,27)(H,24,28)/t19-/m1/s1
InChIKeyGVAULQYMECBCSF-LJQANCHMSA-N
MW420.43 g/mol
LogP3.05
Rot. Bonds6

About N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide

N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide (PubChem CID 41180936) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide
PubChem CID41180936
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC NameN-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide
SMILESO=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H20N4O5/c27-21(22(28)24-16-7-9-17(10-8-16)26(29)30)23-14-19(20-6-3-13-31-20)25-12-11-15-4-1-2-5-18(15)25/h1-10,13,19H,11-12,14H2,(H,23,27)(H,24,28)/t19-/m1/s1
InChIKeyGVAULQYMECBCSF-LJQANCHMSA-N
XLogP3.05
TPSA117.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chlorophenyl)-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7179064
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'-(3,5-dimethylphenyl)oxamide
CID 7179087
N'-(3-acetamidophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 41181106
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 41180939
N'-(2-cyanophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7179100
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(2,6-dimethylphenyl)oxamide
CID 18577549
N-[2-(2,3-dihydroindol-1-yl)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-nitrophenyl)oxamide
CID 18583744
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-propan-2-yloxamide
CID 7525394
N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 18577516
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

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide?
The IUPAC name of N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide (CID 41180936) is N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide.
What is the SMILES notation for N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide?
The canonical SMILES for N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide is O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide?
The InChIKey is GVAULQYMECBCSF-LJQANCHMSA-N. The full InChI is InChI=1S/C22H20N4O5/c27-21(22(28)24-16-7-9-17(10-8-16)26(29)30)23-14-19(20-6-3-13-31-20)25-12-11-15-4-1-2-5-18(15)25/h1-10,13,19H,11-12,14H2,(H,23,27)(H,24,28)/t19-/m1/s1.
What are the key properties of N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide?
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(4-nitrophenyl)oxamide has a molecular weight of 420.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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'-(4-nitrophenyl)oxamide is sourced from PubChem (CID 41180936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).