N-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide

C17H24N2O3 — CID 4314957

IUPACN-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide
SMILESCC(C)c1ccc(CNC(=O)C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)14-7-5-13(6-8-14)10-18-16(20)17(21)19-11-15-4-3-9-22-15/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNUXLBINQNRXXCR-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.72
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide

N-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide (PubChem CID 4314957) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide
PubChem CID4314957
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide
SMILESCC(C)c1ccc(CNC(=O)C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)14-7-5-13(6-8-14)10-18-16(20)17(21)19-11-15-4-3-9-22-15/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNUXLBINQNRXXCR-UHFFFAOYSA-N
XLogP1.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
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-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide (CID 4314957) is N-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide is CC(C)c1ccc(CNC(=O)C(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide?
The InChIKey is NUXLBINQNRXXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)14-7-5-13(6-8-14)10-18-16(20)17(21)19-11-15-4-3-9-22-15/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide?
N-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide has a molecular weight of 304.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide is sourced from PubChem (CID 4314957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).