N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide

C11H21N3O4 — CID 108505337

IUPACN'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)NCCNC(C)=O
InChIInChI=1S/C11H21N3O4/c1-3-18-8-4-5-13-10(16)11(17)14-7-6-12-9(2)15/h3-8H2,1-2H3,(H,12,15)(H,13,16)(H,14,17)
InChIKeyFCLWMQKKKNPIMJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.22
Rot. Bonds8

About N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide

N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide (PubChem CID 108505337) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide.

Molecular Properties

Compound NameN'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide
PubChem CID108505337
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)NCCNC(C)=O
InChIInChI=1S/C11H21N3O4/c1-3-18-8-4-5-13-10(16)11(17)14-7-6-12-9(2)15/h3-8H2,1-2H3,(H,12,15)(H,13,16)(H,14,17)
InChIKeyFCLWMQKKKNPIMJ-UHFFFAOYSA-N
XLogP-1.22
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
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-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456
N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide
CID 108505282
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
N-(3-ethoxypropyl)-2-methoxypropanamide
CID 115588519
1-(3-ethoxypropyl)-3-ethylurea
CID 108890430
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846
N-[3-[3-[3-(hydroxyamino)propoxy]propoxy]propyl]acetamide
CID 20655076
N-[2-(3-propoxypropylamino)ethyl]acetamide
CID 107529829
N'-benzyl-N-(3-ethoxypropyl)oxamide
CID 21369938
N-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide
CID 75532521
N-[3-(propylaminooxy)propyl]acetamide
CID 155215275
N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995

Frequently Asked Questions

What is the IUPAC name of N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide?
The IUPAC name of N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide (CID 108505337) is N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide.
What is the SMILES notation for N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide?
The canonical SMILES for N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide is CCOCCCNC(=O)C(=O)NCCNC(C)=O.
What is the InChIKey of N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide?
The InChIKey is FCLWMQKKKNPIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-3-18-8-4-5-13-10(16)11(17)14-7-6-12-9(2)15/h3-8H2,1-2H3,(H,12,15)(H,13,16)(H,14,17).
What are the key properties of N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide?
N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide has a molecular weight of 259.31 g/mol, XLogP of -1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide is sourced from PubChem (CID 108505337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).