N'-cyclopentyl-N-(2-hydroxy-2-phenylpropyl)oxamide

C16H22N2O3 — CID 56765392

IUPACN'-cyclopentyl-N-(2-hydroxy-2-phenylpropyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-16(21,12-7-3-2-4-8-12)11-17-14(19)15(20)18-13-9-5-6-10-13/h2-4,7-8,13,21H,5-6,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyWMZFAGVTRNWGDC-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.07
Rot. Bonds4

About N'-cyclopentyl-N-(2-hydroxy-2-phenylpropyl)oxamide

N'-cyclopentyl-N-(2-hydroxy-2-phenylpropyl)oxamide (PubChem CID 56765392) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N'-cyclopentyl-N-(2-hydroxy-2-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-(2-hydroxy-2-phenylpropyl)oxamide
PubChem CID56765392
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN'-cyclopentyl-N-(2-hydroxy-2-phenylpropyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-16(21,12-7-3-2-4-8-12)11-17-14(19)15(20)18-13-9-5-6-10-13/h2-4,7-8,13,21H,5-6,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyWMZFAGVTRNWGDC-UHFFFAOYSA-N
XLogP1.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.07
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-(2-hydroxy-2-phenylpropyl)oxamide?
The IUPAC name of N'-cyclopentyl-N-(2-hydroxy-2-phenylpropyl)oxamide (CID 56765392) is N'-cyclopentyl-N-(2-hydroxy-2-phenylpropyl)oxamide.
What is the SMILES notation for N'-cyclopentyl-N-(2-hydroxy-2-phenylpropyl)oxamide?
The canonical SMILES for N'-cyclopentyl-N-(2-hydroxy-2-phenylpropyl)oxamide is CC(O)(CNC(=O)C(=O)NC1CCCC1)c1ccccc1.
What is the InChIKey of N'-cyclopentyl-N-(2-hydroxy-2-phenylpropyl)oxamide?
The InChIKey is WMZFAGVTRNWGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(21,12-7-3-2-4-8-12)11-17-14(19)15(20)18-13-9-5-6-10-13/h2-4,7-8,13,21H,5-6,9-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-cyclopentyl-N-(2-hydroxy-2-phenylpropyl)oxamide?
N'-cyclopentyl-N-(2-hydroxy-2-phenylpropyl)oxamide has a molecular weight of 290.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(2-hydroxy-2-phenylpropyl)oxamide is sourced from PubChem (CID 56765392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).