N'-benzyl-N-(oxolan-2-ylmethyl)oxamide

C14H18N2O3 — CID 21211581

IUPACN'-benzyl-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccc1)C(=O)NCC1CCCO1
InChIInChI=1S/C14H18N2O3/c17-13(15-9-11-5-2-1-3-6-11)14(18)16-10-12-7-4-8-19-12/h1-3,5-6,12H,4,7-10H2,(H,15,17)(H,16,18)
InChIKeyCBKIMWFLAAOWRK-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.60
Rot. Bonds4

About N'-benzyl-N-(oxolan-2-ylmethyl)oxamide

N'-benzyl-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 21211581) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N'-benzyl-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N-(oxolan-2-ylmethyl)oxamide
PubChem CID21211581
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN'-benzyl-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccc1)C(=O)NCC1CCCO1
InChIInChI=1S/C14H18N2O3/c17-13(15-9-11-5-2-1-3-6-11)14(18)16-10-12-7-4-8-19-12/h1-3,5-6,12H,4,7-10H2,(H,15,17)(H,16,18)
InChIKeyCBKIMWFLAAOWRK-UHFFFAOYSA-N
XLogP0.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
1-benzyl-3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiourea
CID 2448710
N-benzyl-2-(oxan-2-ylmethylamino)acetamide
CID 60971571
N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide
CID 125144932
1-(benzylcarbamoylamino)-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1-carboxamide
CID 7441648
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide
CID 108507589
N'-[(5-benzoylthiophen-2-yl)methyl]-N-(oxolan-2-ylmethyl)oxamide
CID 90613141
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
4-[(oxolan-2-ylmethylcarbamothioylamino)methyl]benzoic acid
CID 2955391
4-[[[(2R)-oxolan-2-yl]methylcarbamothioylamino]methyl]benzoic acid
CID 970287
1-(oxolan-2-ylmethyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077068

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-benzyl-N-(oxolan-2-ylmethyl)oxamide (CID 21211581) is N'-benzyl-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-benzyl-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-benzyl-N-(oxolan-2-ylmethyl)oxamide is O=C(NCc1ccccc1)C(=O)NCC1CCCO1.
What is the InChIKey of N'-benzyl-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is CBKIMWFLAAOWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(15-9-11-5-2-1-3-6-11)14(18)16-10-12-7-4-8-19-12/h1-3,5-6,12H,4,7-10H2,(H,15,17)(H,16,18).
What are the key properties of N'-benzyl-N-(oxolan-2-ylmethyl)oxamide?
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 262.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 21211581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).