N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide

C15H22N2O5 — CID 108509868

IUPACN'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
SMILESO=C(C(=O)N(CCO)Cc1ccccc1)N(CCO)CCO
InChIInChI=1S/C15H22N2O5/c18-9-6-16(7-10-19)14(21)15(22)17(8-11-20)12-13-4-2-1-3-5-13/h1-5,18-20H,6-12H2
InChIKeySXCREDLNNBMZNG-UHFFFAOYSA-N
MW310.35 g/mol
LogP-1.18
Rot. Bonds8

About N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide

N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide (PubChem CID 108509868) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
PubChem CID108509868
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC NameN'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
SMILESO=C(C(=O)N(CCO)Cc1ccccc1)N(CCO)CCO
InChIInChI=1S/C15H22N2O5/c18-9-6-16(7-10-19)14(21)15(22)17(8-11-20)12-13-4-2-1-3-5-13/h1-5,18-20H,6-12H2
InChIKeySXCREDLNNBMZNG-UHFFFAOYSA-N
XLogP-1.18
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108521418
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide
CID 108505831
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513904
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
CID 79191990
N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide
CID 108523741
N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108518112
6-[benzyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 60948107
1-benzyl-3-(cyanomethyl)-1-(2-hydroxyethyl)urea
CID 108864764
N-benzyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)acetamide
CID 54870765

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide?
The IUPAC name of N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide (CID 108509868) is N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide.
What is the SMILES notation for N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide?
The canonical SMILES for N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide is O=C(C(=O)N(CCO)Cc1ccccc1)N(CCO)CCO.
What is the InChIKey of N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide?
The InChIKey is SXCREDLNNBMZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c18-9-6-16(7-10-19)14(21)15(22)17(8-11-20)12-13-4-2-1-3-5-13/h1-5,18-20H,6-12H2.
What are the key properties of N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide?
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide has a molecular weight of 310.35 g/mol, XLogP of -1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide is sourced from PubChem (CID 108509868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).