N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide

C16H22N2O4 — CID 108507589

IUPACN'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCC1CCCO1)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H22N2O4/c19-9-8-18(12-13-5-2-1-3-6-13)16(21)15(20)17-11-14-7-4-10-22-14/h1-3,5-6,14,19H,4,7-12H2,(H,17,20)
InChIKeyBYDVAEPOLLJBBS-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.30
Rot. Bonds6

About N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide

N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 108507589) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide
PubChem CID108507589
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCC1CCCO1)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H22N2O4/c19-9-8-18(12-13-5-2-1-3-6-13)16(21)15(20)17-11-14-7-4-10-22-14/h1-3,5-6,14,19H,4,7-12H2,(H,17,20)
InChIKeyBYDVAEPOLLJBBS-UHFFFAOYSA-N
XLogP0.30
TPSA78.87 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 ≤ 50.30
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'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
1-benzyl-3-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)thiourea
CID 7027975
(Z)-2-cyano-3-(dibenzylamino)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 108839300
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108521418
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
1-benzyl-3-[[(2S)-oxolan-2-yl]methyl]-1-(pyridin-4-ylmethyl)thiourea
CID 40572590
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide
CID 108505831
N-benzyl-N-(2-hydroxyethyl)-5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26274263
2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide (CID 108507589) is N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide is O=C(NCC1CCCO1)C(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is BYDVAEPOLLJBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-9-8-18(12-13-5-2-1-3-6-13)16(21)15(20)17-11-14-7-4-10-22-14/h1-3,5-6,14,19H,4,7-12H2,(H,17,20).
What are the key properties of N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide?
N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 306.36 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 108507589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).