N'-(2-acetamidoethyl)-N-(5-hydroxypentyl)oxamide

C11H21N3O4 — CID 108525833

IUPACN'-(2-acetamidoethyl)-N-(5-hydroxypentyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)NCCCCCO
InChIInChI=1S/C11H21N3O4/c1-9(16)12-6-7-14-11(18)10(17)13-5-3-2-4-8-15/h15H,2-8H2,1H3,(H,12,16)(H,13,17)(H,14,18)
InChIKeyABXYRRSKFBOCBW-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.48
Rot. Bonds8

About N'-(2-acetamidoethyl)-N-(5-hydroxypentyl)oxamide

N'-(2-acetamidoethyl)-N-(5-hydroxypentyl)oxamide (PubChem CID 108525833) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is N'-(2-acetamidoethyl)-N-(5-hydroxypentyl)oxamide.

Molecular Properties

Compound NameN'-(2-acetamidoethyl)-N-(5-hydroxypentyl)oxamide
PubChem CID108525833
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN'-(2-acetamidoethyl)-N-(5-hydroxypentyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)NCCCCCO
InChIInChI=1S/C11H21N3O4/c1-9(16)12-6-7-14-11(18)10(17)13-5-3-2-4-8-15/h15H,2-8H2,1H3,(H,12,16)(H,13,17)(H,14,18)
InChIKeyABXYRRSKFBOCBW-UHFFFAOYSA-N
XLogP-1.48
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide
CID 108527985
N-(2-acetamidoethyl)-5-hydroxypentanamide
CID 79199978
N-(3-acetamidopropyl)acetamide
CID 5147555
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
N-nonadecylacetamide
CID 54574805
N-hexylacetamide
CID 24129
N-pentadecylacetamide
CID 12009452
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
N-(5-hydroxypentyl)-N'-prop-2-enyloxamide
CID 108525776
N'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide
CID 108525813
N-(8-oxononyl)acetamide
CID 58114719

Frequently Asked Questions

What is the IUPAC name of N'-(2-acetamidoethyl)-N-(5-hydroxypentyl)oxamide?
The IUPAC name of N'-(2-acetamidoethyl)-N-(5-hydroxypentyl)oxamide (CID 108525833) is N'-(2-acetamidoethyl)-N-(5-hydroxypentyl)oxamide.
What is the SMILES notation for N'-(2-acetamidoethyl)-N-(5-hydroxypentyl)oxamide?
The canonical SMILES for N'-(2-acetamidoethyl)-N-(5-hydroxypentyl)oxamide is CC(=O)NCCNC(=O)C(=O)NCCCCCO.
What is the InChIKey of N'-(2-acetamidoethyl)-N-(5-hydroxypentyl)oxamide?
The InChIKey is ABXYRRSKFBOCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-9(16)12-6-7-14-11(18)10(17)13-5-3-2-4-8-15/h15H,2-8H2,1H3,(H,12,16)(H,13,17)(H,14,18).
What are the key properties of N'-(2-acetamidoethyl)-N-(5-hydroxypentyl)oxamide?
N'-(2-acetamidoethyl)-N-(5-hydroxypentyl)oxamide has a molecular weight of 259.31 g/mol, XLogP of -1.48, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-acetamidoethyl)-N-(5-hydroxypentyl)oxamide is sourced from PubChem (CID 108525833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).