N-(oxolan-2-ylmethyl)-N'-phenyloxamide

C13H16N2O3 — CID 3114289

IUPACN-(oxolan-2-ylmethyl)-N'-phenyloxamide
SMILESO=C(NCC1CCCO1)C(=O)Nc1ccccc1
InChIInChI=1S/C13H16N2O3/c16-12(14-9-11-7-4-8-18-11)13(17)15-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,16)(H,15,17)
InChIKeyPTWOEOKHIDAMED-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.92
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-N'-phenyloxamide

N-(oxolan-2-ylmethyl)-N'-phenyloxamide (PubChem CID 3114289) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N'-phenyloxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N'-phenyloxamide
PubChem CID3114289
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(oxolan-2-ylmethyl)-N'-phenyloxamide
SMILESO=C(NCC1CCCO1)C(=O)Nc1ccccc1
InChIInChI=1S/C13H16N2O3/c16-12(14-9-11-7-4-8-18-11)13(17)15-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,16)(H,15,17)
InChIKeyPTWOEOKHIDAMED-UHFFFAOYSA-N
XLogP0.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.92
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'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N-[[(2R)-oxolan-2-yl]methyl]-N'-pyridin-4-yloxamide
CID 41453086
N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 2274084
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7585533
N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7323851
N'-(3-methylsulfanylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453015
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea
CID 51455340
N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide
CID 2926686
N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7256111

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N'-phenyloxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N'-phenyloxamide (CID 3114289) is N-(oxolan-2-ylmethyl)-N'-phenyloxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N'-phenyloxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N'-phenyloxamide is O=C(NCC1CCCO1)C(=O)Nc1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N'-phenyloxamide?
The InChIKey is PTWOEOKHIDAMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(14-9-11-7-4-8-18-11)13(17)15-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,16)(H,15,17).
What are the key properties of N-(oxolan-2-ylmethyl)-N'-phenyloxamide?
N-(oxolan-2-ylmethyl)-N'-phenyloxamide has a molecular weight of 248.28 g/mol, XLogP of 0.92, 3 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'-phenyloxamide is sourced from PubChem (CID 3114289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).