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

C16H22N2O3 — CID 2917394

IUPACN'-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide
SMILESCCc1ccc(CNC(=O)C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-12-5-7-13(8-6-12)10-17-15(19)16(20)18-11-14-4-3-9-21-14/h5-8,14H,2-4,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyDDCVPYQNVMYJDL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.16
Rot. Bonds5

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

N'-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 2917394) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N'-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide
PubChem CID2917394
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN'-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide
SMILESCCc1ccc(CNC(=O)C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-12-5-7-13(8-6-12)10-17-15(19)16(20)18-11-14-4-3-9-21-14/h5-8,14H,2-4,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyDDCVPYQNVMYJDL-UHFFFAOYSA-N
XLogP1.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.16
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'-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide (CID 2917394) is N'-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide is CCc1ccc(CNC(=O)C(=O)NCC2CCCO2)cc1.
What is the InChIKey of N'-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is DDCVPYQNVMYJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-12-5-7-13(8-6-12)10-17-15(19)16(20)18-11-14-4-3-9-21-14/h5-8,14H,2-4,9-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
N'-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 290.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 2917394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).