N'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide

C11H22N2O5 — CID 108525813

IUPACN'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide
SMILESCOC(CNC(=O)C(=O)NCCCCCO)OC
InChIInChI=1S/C11H22N2O5/c1-17-9(18-2)8-13-11(16)10(15)12-6-4-3-5-7-14/h9,14H,3-8H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyPQHXZBVTSASTBB-UHFFFAOYSA-N
MW262.31 g/mol
LogP-1.00
Rot. Bonds9

About N'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide

N'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide (PubChem CID 108525813) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is N'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide.

Molecular Properties

Compound NameN'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide
PubChem CID108525813
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC NameN'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide
SMILESCOC(CNC(=O)C(=O)NCCCCCO)OC
InChIInChI=1S/C11H22N2O5/c1-17-9(18-2)8-13-11(16)10(15)12-6-4-3-5-7-14/h9,14H,3-8H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyPQHXZBVTSASTBB-UHFFFAOYSA-N
XLogP-1.00
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide?
The IUPAC name of N'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide (CID 108525813) is N'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide.
What is the SMILES notation for N'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide?
The canonical SMILES for N'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide is COC(CNC(=O)C(=O)NCCCCCO)OC.
What is the InChIKey of N'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide?
The InChIKey is PQHXZBVTSASTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-17-9(18-2)8-13-11(16)10(15)12-6-4-3-5-7-14/h9,14H,3-8H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of N'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide?
N'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide has a molecular weight of 262.31 g/mol, XLogP of -1.00, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide is sourced from PubChem (CID 108525813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).