N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide

C16H22N2O4 — CID 2926686

IUPACN-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide
SMILESCCCOc1ccc(NC(=O)C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H22N2O4/c1-2-9-21-13-7-5-12(6-8-13)18-16(20)15(19)17-11-14-4-3-10-22-14/h5-8,14H,2-4,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyOTDKAYDPUOIPQF-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.71
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide

N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide (PubChem CID 2926686) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide
PubChem CID2926686
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide
SMILESCCCOc1ccc(NC(=O)C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H22N2O4/c1-2-9-21-13-7-5-12(6-8-13)18-16(20)15(19)17-11-14-4-3-10-22-14/h5-8,14H,2-4,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyOTDKAYDPUOIPQF-UHFFFAOYSA-N
XLogP1.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822674
4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide
CID 55527756
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7585533
2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54820456
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide
CID 78774490
N'-(4-methyl-2-propoxyphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 87039182
4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836443
N-[[(2R)-oxolan-2-yl]methyl]-N'-pyridin-4-yloxamide
CID 41453086
N-ethyl-N'-(4-propoxyphenyl)oxamide
CID 124624762

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide (CID 2926686) is N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide is CCCOc1ccc(NC(=O)C(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide?
The InChIKey is OTDKAYDPUOIPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-2-9-21-13-7-5-12(6-8-13)18-16(20)15(19)17-11-14-4-3-10-22-14/h5-8,14H,2-4,9-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide?
N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide has a molecular weight of 306.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide is sourced from PubChem (CID 2926686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).