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

C20H26N2O3 — CID 90499181

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCC1(O)CCc2ccccc21
InChIInChI=1S/C20H26N2O3/c23-18(21-13-11-15-6-2-1-3-7-15)19(24)22-14-20(25)12-10-16-8-4-5-9-17(16)20/h4-6,8-9,25H,1-3,7,10-14H2,(H,21,23)(H,22,24)
InChIKeyQOUWTPZEROAGFM-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.94
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide (PubChem CID 90499181) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide
PubChem CID90499181
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCC1(O)CCc2ccccc21
InChIInChI=1S/C20H26N2O3/c23-18(21-13-11-15-6-2-1-3-7-15)19(24)22-14-20(25)12-10-16-8-4-5-9-17(16)20/h4-6,8-9,25H,1-3,7,10-14H2,(H,21,23)(H,22,24)
InChIKeyQOUWTPZEROAGFM-UHFFFAOYSA-N
XLogP1.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide (CID 90499181) is N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide is O=C(NCCC1=CCCCC1)C(=O)NCC1(O)CCc2ccccc21.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
The InChIKey is QOUWTPZEROAGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-18(21-13-11-15-6-2-1-3-7-15)19(24)22-14-20(25)12-10-16-8-4-5-9-17(16)20/h4-6,8-9,25H,1-3,7,10-14H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide has a molecular weight of 342.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide is sourced from PubChem (CID 90499181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).