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

C17H22N2O3 — CID 71782195

IUPACN'-cyclopentyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide
SMILESO=C(NCC1(O)CCc2ccccc21)C(=O)NC1CCCC1
InChIInChI=1S/C17H22N2O3/c20-15(16(21)19-13-6-2-3-7-13)18-11-17(22)10-9-12-5-1-4-8-14(12)17/h1,4-5,8,13,22H,2-3,6-7,9-11H2,(H,18,20)(H,19,21)
InChIKeyWMRGJRQHECCPPB-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.00
Rot. Bonds3

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

N'-cyclopentyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide (PubChem CID 71782195) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N'-cyclopentyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide
PubChem CID71782195
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN'-cyclopentyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide
SMILESO=C(NCC1(O)CCc2ccccc21)C(=O)NC1CCCC1
InChIInChI=1S/C17H22N2O3/c20-15(16(21)19-13-6-2-3-7-13)18-11-17(22)10-9-12-5-1-4-8-14(12)17/h1,4-5,8,13,22H,2-3,6-7,9-11H2,(H,18,20)(H,19,21)
InChIKeyWMRGJRQHECCPPB-UHFFFAOYSA-N
XLogP1.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.00
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'-cyclopentyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide (CID 71782195) is N'-cyclopentyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide is O=C(NCC1(O)CCc2ccccc21)C(=O)NC1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
The InChIKey is WMRGJRQHECCPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-15(16(21)19-13-6-2-3-7-13)18-11-17(22)10-9-12-5-1-4-8-14(12)17/h1,4-5,8,13,22H,2-3,6-7,9-11H2,(H,18,20)(H,19,21).
What are the key properties of N'-cyclopentyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide?
N'-cyclopentyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide has a molecular weight of 302.37 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide is sourced from PubChem (CID 71782195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).