N-(1H-indol-2-ylmethyl)-N'-(6-phenyl-2,3-dihydro-1H-inden-1-yl)oxamide

C26H23N3O2 — CID 167827786

IUPACN-(1H-indol-2-ylmethyl)-N'-(6-phenyl-2,3-dihydro-1H-inden-1-yl)oxamide
SMILESO=C(NCc1cc2ccccc2[nH]1)C(=O)NC1CCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C26H23N3O2/c30-25(27-16-21-14-20-8-4-5-9-23(20)28-21)26(31)29-24-13-12-18-10-11-19(15-22(18)24)17-6-2-1-3-7-17/h1-11,14-15,24,28H,12-13,16H2,(H,27,30)(H,29,31)
InChIKeyLBXDQRLUJBNRJU-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.25
Rot. Bonds4

About N-(1H-indol-2-ylmethyl)-N'-(6-phenyl-2,3-dihydro-1H-inden-1-yl)oxamide

N-(1H-indol-2-ylmethyl)-N'-(6-phenyl-2,3-dihydro-1H-inden-1-yl)oxamide (PubChem CID 167827786) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(1H-indol-2-ylmethyl)-N'-(6-phenyl-2,3-dihydro-1H-inden-1-yl)oxamide.

Molecular Properties

Compound NameN-(1H-indol-2-ylmethyl)-N'-(6-phenyl-2,3-dihydro-1H-inden-1-yl)oxamide
PubChem CID167827786
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC NameN-(1H-indol-2-ylmethyl)-N'-(6-phenyl-2,3-dihydro-1H-inden-1-yl)oxamide
SMILESO=C(NCc1cc2ccccc2[nH]1)C(=O)NC1CCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C26H23N3O2/c30-25(27-16-21-14-20-8-4-5-9-23(20)28-21)26(31)29-24-13-12-18-10-11-19(15-22(18)24)17-6-2-1-3-7-17/h1-11,14-15,24,28H,12-13,16H2,(H,27,30)(H,29,31)
InChIKeyLBXDQRLUJBNRJU-UHFFFAOYSA-N
XLogP4.25
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-ylmethyl)-N'-(6-phenyl-2,3-dihydro-1H-inden-1-yl)oxamide?
The IUPAC name of N-(1H-indol-2-ylmethyl)-N'-(6-phenyl-2,3-dihydro-1H-inden-1-yl)oxamide (CID 167827786) is N-(1H-indol-2-ylmethyl)-N'-(6-phenyl-2,3-dihydro-1H-inden-1-yl)oxamide.
What is the SMILES notation for N-(1H-indol-2-ylmethyl)-N'-(6-phenyl-2,3-dihydro-1H-inden-1-yl)oxamide?
The canonical SMILES for N-(1H-indol-2-ylmethyl)-N'-(6-phenyl-2,3-dihydro-1H-inden-1-yl)oxamide is O=C(NCc1cc2ccccc2[nH]1)C(=O)NC1CCc2ccc(-c3ccccc3)cc21.
What is the InChIKey of N-(1H-indol-2-ylmethyl)-N'-(6-phenyl-2,3-dihydro-1H-inden-1-yl)oxamide?
The InChIKey is LBXDQRLUJBNRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c30-25(27-16-21-14-20-8-4-5-9-23(20)28-21)26(31)29-24-13-12-18-10-11-19(15-22(18)24)17-6-2-1-3-7-17/h1-11,14-15,24,28H,12-13,16H2,(H,27,30)(H,29,31).
What are the key properties of N-(1H-indol-2-ylmethyl)-N'-(6-phenyl-2,3-dihydro-1H-inden-1-yl)oxamide?
N-(1H-indol-2-ylmethyl)-N'-(6-phenyl-2,3-dihydro-1H-inden-1-yl)oxamide has a molecular weight of 409.49 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-ylmethyl)-N'-(6-phenyl-2,3-dihydro-1H-inden-1-yl)oxamide is sourced from PubChem (CID 167827786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).