2-bromo-N-(3-morpholin-4-ylpropyl)acetamide

C9H17BrN2O2 — CID 52984035

IUPAC2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(CBr)NCCCN1CCOCC1
InChIInChI=1S/C9H17BrN2O2/c10-8-9(13)11-2-1-3-12-4-6-14-7-5-12/h1-8H2,(H,11,13)
InChIKeyRBPSUXMUNZWYSR-UHFFFAOYSA-N
MW265.15 g/mol
LogP0.22
Rot. Bonds5

About 2-bromo-N-(3-morpholin-4-ylpropyl)acetamide

2-bromo-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 52984035) has the molecular formula C9H17BrN2O2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 2-bromo-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID52984035
Molecular FormulaC9H17BrN2O2
Molecular Weight265.15 g/mol
Exact Mass264.05
IUPAC Name2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(CBr)NCCCN1CCOCC1
InChIInChI=1S/C9H17BrN2O2/c10-8-9(13)11-2-1-3-12-4-6-14-7-5-12/h1-8H2,(H,11,13)
InChIKeyRBPSUXMUNZWYSR-UHFFFAOYSA-N
XLogP0.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 103606858
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
5-hydroxy-N-(3-morpholin-4-ylpropyl)pentanamide
CID 79199883
3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2225348
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463
N-(3-morpholin-4-ylpropyl)pent-4-enamide
CID 70244904
2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037016
2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide
CID 173284706
1-ethenyl-3-(3-morpholin-4-ylpropyl)urea
CID 108909151
2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide
CID 110972655

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-bromo-N-(3-morpholin-4-ylpropyl)acetamide (CID 52984035) is 2-bromo-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-bromo-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-bromo-N-(3-morpholin-4-ylpropyl)acetamide is O=C(CBr)NCCCN1CCOCC1.
What is the InChIKey of 2-bromo-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is RBPSUXMUNZWYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN2O2/c10-8-9(13)11-2-1-3-12-4-6-14-7-5-12/h1-8H2,(H,11,13).
What are the key properties of 2-bromo-N-(3-morpholin-4-ylpropyl)acetamide?
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 265.15 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 52984035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).