N'-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide

C15H20N2O4 — CID 2956499

IUPACN'-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide
SMILESCOc1cccc(CNC(=O)C(=O)NCC2CCCO2)c1
InChIInChI=1S/C15H20N2O4/c1-20-12-5-2-4-11(8-12)9-16-14(18)15(19)17-10-13-6-3-7-21-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyXQNCNOXGIYLKCT-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.61
Rot. Bonds5

About N'-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide

N'-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 2956499) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N'-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide
PubChem CID2956499
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN'-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide
SMILESCOc1cccc(CNC(=O)C(=O)NCC2CCCO2)c1
InChIInChI=1S/C15H20N2O4/c1-20-12-5-2-4-11(8-12)9-16-14(18)15(19)17-10-13-6-3-7-21-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyXQNCNOXGIYLKCT-UHFFFAOYSA-N
XLogP0.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide (CID 2956499) is N'-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide is COc1cccc(CNC(=O)C(=O)NCC2CCCO2)c1.
What is the InChIKey of N'-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is XQNCNOXGIYLKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-12-5-2-4-11(8-12)9-16-14(18)15(19)17-10-13-6-3-7-21-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
N'-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 292.33 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 2956499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).