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

C15H20N2O4 — CID 3113996

IUPACN'-[(4-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H20N2O4/c1-20-12-6-4-11(5-7-12)9-16-14(18)15(19)17-10-13-3-2-8-21-13/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyDJZOMWYXGRDROK-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.61
Rot. Bonds5

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

N'-[(4-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 3113996) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide
PubChem CID3113996
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN'-[(4-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H20N2O4/c1-20-12-6-4-11(5-7-12)9-16-14(18)15(19)17-10-13-3-2-8-21-13/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyDJZOMWYXGRDROK-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'-[(4-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide (CID 3113996) is N'-[(4-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide is COc1ccc(CNC(=O)C(=O)NCC2CCCO2)cc1.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is DJZOMWYXGRDROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-12-6-4-11(5-7-12)9-16-14(18)15(19)17-10-13-3-2-8-21-13/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-[(4-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
N'-[(4-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'-[(4-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 3113996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).