N'-(3,5-dimethylphenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide

C20H22N2O3 — CID 71782198

IUPACN'-(3,5-dimethylphenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCC2(O)CCc3ccccc32)c1
InChIInChI=1S/C20H22N2O3/c1-13-9-14(2)11-16(10-13)22-19(24)18(23)21-12-20(25)8-7-15-5-3-4-6-17(15)20/h3-6,9-11,25H,7-8,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKVKKBHFPILFIIJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.19
Rot. Bonds3

About N'-(3,5-dimethylphenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide

N'-(3,5-dimethylphenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide (PubChem CID 71782198) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide
PubChem CID71782198
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN'-(3,5-dimethylphenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCC2(O)CCc3ccccc32)c1
InChIInChI=1S/C20H22N2O3/c1-13-9-14(2)11-16(10-13)22-19(24)18(23)21-12-20(25)8-7-15-5-3-4-6-17(15)20/h3-6,9-11,25H,7-8,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKVKKBHFPILFIIJ-UHFFFAOYSA-N
XLogP2.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'-(3,5-dimethylphenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide (CID 71782198) is N'-(3,5-dimethylphenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide is Cc1cc(C)cc(NC(=O)C(=O)NCC2(O)CCc3ccccc32)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
The InChIKey is KVKKBHFPILFIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-9-14(2)11-16(10-13)22-19(24)18(23)21-12-20(25)8-7-15-5-3-4-6-17(15)20/h3-6,9-11,25H,7-8,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(3,5-dimethylphenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
N'-(3,5-dimethylphenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide has a molecular weight of 338.41 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide is sourced from PubChem (CID 71782198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).