N',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide

C12H23N3O3 — CID 108517535

IUPACN',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide
SMILESCCN(CC)C(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H23N3O3/c1-3-15(4-2)12(17)11(16)13-5-6-14-7-9-18-10-8-14/h3-10H2,1-2H3,(H,13,16)
InChIKeyATSXVMJAZYIQHL-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.70
Rot. Bonds5

About N',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide

N',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 108517535) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID108517535
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide
SMILESCCN(CC)C(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H23N3O3/c1-3-15(4-2)12(17)11(16)13-5-6-14-7-9-18-10-8-14/h3-10H2,1-2H3,(H,13,16)
InChIKeyATSXVMJAZYIQHL-UHFFFAOYSA-N
XLogP-0.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide
CID 108517517
2-(diethylcarbamoylamino)-N-(2-morpholin-4-ylethyl)acetamide
CID 110285196
N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518511
1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea
CID 110445097
N,N-diethyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide
CID 75532926
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
N,N-diethyl-3-morpholin-4-ylpropanamide
CID 102409015
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517619
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide (CID 108517535) is N',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide is CCN(CC)C(=O)C(=O)NCCN1CCOCC1.
What is the InChIKey of N',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is ATSXVMJAZYIQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-15(4-2)12(17)11(16)13-5-6-14-7-9-18-10-8-14/h3-10H2,1-2H3,(H,13,16).
What are the key properties of N',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide?
N',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 257.33 g/mol, XLogP of -0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 108517535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).