3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide

C13H23N3O4 — CID 108943424

IUPAC3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
SMILESO=C(CC(=O)N1CCOCC1)NCCN1CCOCC1
InChIInChI=1S/C13H23N3O4/c17-12(11-13(18)16-5-9-20-10-6-16)14-1-2-15-3-7-19-8-4-15/h1-11H2,(H,14,17)
InChIKeyCWAUIGIPHQDZMR-UHFFFAOYSA-N
MW285.34 g/mol
LogP-1.32
Rot. Bonds5

About 3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide

3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide (PubChem CID 108943424) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
PubChem CID108943424
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
SMILESO=C(CC(=O)N1CCOCC1)NCCN1CCOCC1
InChIInChI=1S/C13H23N3O4/c17-12(11-13(18)16-5-9-20-10-6-16)14-1-2-15-3-7-19-8-4-15/h1-11H2,(H,14,17)
InChIKeyCWAUIGIPHQDZMR-UHFFFAOYSA-N
XLogP-1.32
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108943967
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
1-morpholin-4-yl-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109015660
4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride
CID 39256191
3-(2-ethylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108944029
2-azido-N-(2-morpholin-4-ylethyl)acetamide
CID 112708187
N'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944023
1-morpholin-4-yl-2-(3-morpholin-4-ylpropylamino)ethanone
CID 43091152
6-amino-N-(2-morpholin-4-ylethyl)hexanamide
CID 24707853
2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide
CID 3533686
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
2-morpholin-4-yl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 86019043

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide?
The IUPAC name of 3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide (CID 108943424) is 3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide.
What is the SMILES notation for 3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide?
The canonical SMILES for 3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide is O=C(CC(=O)N1CCOCC1)NCCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide?
The InChIKey is CWAUIGIPHQDZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c17-12(11-13(18)16-5-9-20-10-6-16)14-1-2-15-3-7-19-8-4-15/h1-11H2,(H,14,17).
What are the key properties of 3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide?
3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide has a molecular weight of 285.34 g/mol, XLogP of -1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide is sourced from PubChem (CID 108943424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).