N-(3-morpholin-4-ylpropyl)-3-oxobutanamide

C11H20N2O3 — CID 5059958

IUPACN-(3-morpholin-4-ylpropyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C11H20N2O3/c1-10(14)9-11(15)12-3-2-4-13-5-7-16-8-6-13/h2-9H2,1H3,(H,12,15)
InChIKeyFJENVVYVIVJUGF-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.20
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-3-oxobutanamide

N-(3-morpholin-4-ylpropyl)-3-oxobutanamide (PubChem CID 5059958) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3-oxobutanamide
PubChem CID5059958
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-(3-morpholin-4-ylpropyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C11H20N2O3/c1-10(14)9-11(15)12-3-2-4-13-5-7-16-8-6-13/h2-9H2,1H3,(H,12,15)
InChIKeyFJENVVYVIVJUGF-UHFFFAOYSA-N
XLogP-0.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-3-oxobutanamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3-oxobutanamide (CID 5059958) is N-(3-morpholin-4-ylpropyl)-3-oxobutanamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3-oxobutanamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3-oxobutanamide is CC(=O)CC(=O)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3-oxobutanamide?
The InChIKey is FJENVVYVIVJUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(14)9-11(15)12-3-2-4-13-5-7-16-8-6-13/h2-9H2,1H3,(H,12,15).
What are the key properties of N-(3-morpholin-4-ylpropyl)-3-oxobutanamide?
N-(3-morpholin-4-ylpropyl)-3-oxobutanamide has a molecular weight of 228.29 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3-oxobutanamide is sourced from PubChem (CID 5059958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).