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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Related Compounds

N-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide
CID 4314957
N-(4-Methyl-benzyl)-N'-(tetrahydro-furan-2-ylmethyl)-oxalamide
CID 2891290
N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)-N~1~-(tetrahydro-2-furanylmethyl)glycinamide
CID 2963958
N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2883263
4-ethyl-N-{3-methyl-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]butan-2-yl}benzamide
CID 2975014
2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 4204658
N-[1-(4-ethylphenyl)ethyl]tetrahydro-2-furancarboxamide
CID 6464227
N-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide
CID 6464301
N-benzyl-2-(2,6-dimethyl-4-morpholinyl)acetamide
CID 6467807
2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylethyl)acetamide
CID 6469831
N-benzhydryl-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16301868
N-Phenethyl-N'-(tetrahydro-furan-2-ylmethyl)-oxalamide
CID 551498

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).