N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide

C10H19N3O5 — CID 108530037

IUPACN-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(=O)NCCNC(C)=O)OC
InChIInChI=1S/C10H19N3O5/c1-7(14)11-4-5-12-9(15)10(16)13-6-8(17-2)18-3/h8H,4-6H2,1-3H3,(H,11,14)(H,12,15)(H,13,16)
InChIKeyWVINRUXMTYHPSI-UHFFFAOYSA-N
MW261.28 g/mol
LogP-2.03
Rot. Bonds7

About N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide

N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide (PubChem CID 108530037) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide
PubChem CID108530037
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC NameN-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide
SMILESCOC(CNC(=O)C(=O)NCCNC(C)=O)OC
InChIInChI=1S/C10H19N3O5/c1-7(14)11-4-5-12-9(15)10(16)13-6-8(17-2)18-3/h8H,4-6H2,1-3H3,(H,11,14)(H,12,15)(H,13,16)
InChIKeyWVINRUXMTYHPSI-UHFFFAOYSA-N
XLogP-2.03
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-2.03
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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Related Compounds

N'-(2,2-dimethoxyethyl)-N-ethyloxamide
CID 44997787
N'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide
CID 108525813
N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide
CID 108527985
4-(2,2-dimethoxyethylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992948
2,2-dimethoxyethanamine;N-(2,2-dimethoxyethyl)-N'-(2-oxopropyl)oxamide
CID 91212468
2,2-dimethoxyethylcarbamic acid
CID 18938836
N'-(2,2-dimethoxyethyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44997779
N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide
CID 108531294
N-(2,2-dimethoxyethyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108526359
N'-cyclobutyl-N-(2,2-dimethoxyethyl)oxamide
CID 166103905
3-(2,2-dimethoxyethyl)-1,1-dimethylurea
CID 79153179
N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530034

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide?
The IUPAC name of N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide (CID 108530037) is N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide?
The canonical SMILES for N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide is COC(CNC(=O)C(=O)NCCNC(C)=O)OC.
What is the InChIKey of N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide?
The InChIKey is WVINRUXMTYHPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-7(14)11-4-5-12-9(15)10(16)13-6-8(17-2)18-3/h8H,4-6H2,1-3H3,(H,11,14)(H,12,15)(H,13,16).
What are the key properties of N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide?
N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide has a molecular weight of 261.28 g/mol, XLogP of -2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N'-(2,2-dimethoxyethyl)oxamide is sourced from PubChem (CID 108530037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).