N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide

C17H25N3O3 — CID 108517517

IUPACN'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-2-20(14-15-6-4-3-5-7-15)17(22)16(21)18-8-9-19-10-12-23-13-11-19/h3-7H,2,8-14H2,1H3,(H,18,21)
InChIKeyBLMKDKITQZRBKT-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.48
Rot. Bonds6

About N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide

N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 108517517) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID108517517
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-2-20(14-15-6-4-3-5-7-15)17(22)16(21)18-8-9-19-10-12-23-13-11-19/h3-7H,2,8-14H2,1H3,(H,18,21)
InChIKeyBLMKDKITQZRBKT-UHFFFAOYSA-N
XLogP0.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.48
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',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide
CID 108517535
4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045869
N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide
CID 133148925
N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
(Z)-3-(N-benzylanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863102
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide
CID 108944050
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 110953548
N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide
CID 108503431
N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide
CID 109016746

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide (CID 108517517) is N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide is CCN(Cc1ccccc1)C(=O)C(=O)NCCN1CCOCC1.
What is the InChIKey of N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is BLMKDKITQZRBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-20(14-15-6-4-3-5-7-15)17(22)16(21)18-8-9-19-10-12-23-13-11-19/h3-7H,2,8-14H2,1H3,(H,18,21).
What are the key properties of N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide?
N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 319.40 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 108517517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).