N-(6-bromohexyl)-3-(oxan-2-yl)propanamide

C14H26BrNO2 — CID 107847530

IUPACN-(6-bromohexyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NCCCCCCBr
InChIInChI=1S/C14H26BrNO2/c15-10-4-1-2-5-11-16-14(17)9-8-13-7-3-6-12-18-13/h13H,1-12H2,(H,16,17)
InChIKeyHESJYTBXFMWBHP-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.41
Rot. Bonds9

About N-(6-bromohexyl)-3-(oxan-2-yl)propanamide

N-(6-bromohexyl)-3-(oxan-2-yl)propanamide (PubChem CID 107847530) has the molecular formula C14H26BrNO2 and a molecular weight of 320.27 g/mol. Its IUPAC name is N-(6-bromohexyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-3-(oxan-2-yl)propanamide
PubChem CID107847530
Molecular FormulaC14H26BrNO2
Molecular Weight320.27 g/mol
Exact Mass319.11
IUPAC NameN-(6-bromohexyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NCCCCCCBr
InChIInChI=1S/C14H26BrNO2/c15-10-4-1-2-5-11-16-14(17)9-8-13-7-3-6-12-18-13/h13H,1-12H2,(H,16,17)
InChIKeyHESJYTBXFMWBHP-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(6-bromohexyl)-3-(oxan-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-iodohexyl)-3-(oxan-2-yl)propanamide
CID 107848186
N-(5-chloropentyl)-3-(oxan-2-yl)propanamide
CID 107321014
methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate
CID 63939050
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide
CID 107321758
N-(4-amino-4-sulfanylidenebutyl)-3-(oxan-2-yl)propanamide
CID 63952946
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
CID 65157006
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide
CID 106386302
N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide
CID 63953367
N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 124572050

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(6-bromohexyl)-3-(oxan-2-yl)propanamide (CID 107847530) is N-(6-bromohexyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(6-bromohexyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(6-bromohexyl)-3-(oxan-2-yl)propanamide is O=C(CCC1CCCCO1)NCCCCCCBr.
What is the InChIKey of N-(6-bromohexyl)-3-(oxan-2-yl)propanamide?
The InChIKey is HESJYTBXFMWBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO2/c15-10-4-1-2-5-11-16-14(17)9-8-13-7-3-6-12-18-13/h13H,1-12H2,(H,16,17).
What are the key properties of N-(6-bromohexyl)-3-(oxan-2-yl)propanamide?
N-(6-bromohexyl)-3-(oxan-2-yl)propanamide has a molecular weight of 320.27 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 107847530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).