N'-benzyl-N-(3-morpholin-4-ylpropyl)butanediamide

C18H27N3O3 — CID 4030080

IUPACN'-benzyl-N-(3-morpholin-4-ylpropyl)butanediamide
SMILESO=C(CCC(=O)NCc1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C18H27N3O3/c22-17(19-9-4-10-21-11-13-24-14-12-21)7-8-18(23)20-15-16-5-2-1-3-6-16/h1-3,5-6H,4,7-15H2,(H,19,22)(H,20,23)
InChIKeyQICRHLOCKWHJCK-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.92
Rot. Bonds9

About N'-benzyl-N-(3-morpholin-4-ylpropyl)butanediamide

N'-benzyl-N-(3-morpholin-4-ylpropyl)butanediamide (PubChem CID 4030080) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N'-benzyl-N-(3-morpholin-4-ylpropyl)butanediamide.

Molecular Properties

Compound NameN'-benzyl-N-(3-morpholin-4-ylpropyl)butanediamide
PubChem CID4030080
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN'-benzyl-N-(3-morpholin-4-ylpropyl)butanediamide
SMILESO=C(CCC(=O)NCc1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C18H27N3O3/c22-17(19-9-4-10-21-11-13-24-14-12-21)7-8-18(23)20-15-16-5-2-1-3-6-16/h1-3,5-6H,4,7-15H2,(H,19,22)(H,20,23)
InChIKeyQICRHLOCKWHJCK-UHFFFAOYSA-N
XLogP0.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(3-morpholin-4-ylpropyl)butanediamide?
The IUPAC name of N'-benzyl-N-(3-morpholin-4-ylpropyl)butanediamide (CID 4030080) is N'-benzyl-N-(3-morpholin-4-ylpropyl)butanediamide.
What is the SMILES notation for N'-benzyl-N-(3-morpholin-4-ylpropyl)butanediamide?
The canonical SMILES for N'-benzyl-N-(3-morpholin-4-ylpropyl)butanediamide is O=C(CCC(=O)NCc1ccccc1)NCCCN1CCOCC1.
What is the InChIKey of N'-benzyl-N-(3-morpholin-4-ylpropyl)butanediamide?
The InChIKey is QICRHLOCKWHJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c22-17(19-9-4-10-21-11-13-24-14-12-21)7-8-18(23)20-15-16-5-2-1-3-6-16/h1-3,5-6H,4,7-15H2,(H,19,22)(H,20,23).
What are the key properties of N'-benzyl-N-(3-morpholin-4-ylpropyl)butanediamide?
N'-benzyl-N-(3-morpholin-4-ylpropyl)butanediamide has a molecular weight of 333.43 g/mol, XLogP of 0.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(3-morpholin-4-ylpropyl)butanediamide is sourced from PubChem (CID 4030080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).