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

C14H26INO2 — CID 107848186

IUPACN-(6-iodohexyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NCCCCCCI
InChIInChI=1S/C14H26INO2/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)
InChIKeyBULSJSYCMVROFV-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.45
Rot. Bonds9

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

N-(6-iodohexyl)-3-(oxan-2-yl)propanamide (PubChem CID 107848186) has the molecular formula C14H26INO2 and a molecular weight of 367.27 g/mol. Its IUPAC name is N-(6-iodohexyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(6-iodohexyl)-3-(oxan-2-yl)propanamide
PubChem CID107848186
Molecular FormulaC14H26INO2
Molecular Weight367.27 g/mol
Exact Mass367.10
IUPAC NameN-(6-iodohexyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NCCCCCCI
InChIInChI=1S/C14H26INO2/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)
InChIKeyBULSJSYCMVROFV-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.45
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530
N-(5-chloropentyl)-3-(oxan-2-yl)propanamide
CID 107321014
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate
CID 63939050
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
3-(oxan-2-yl)-N-(2-piperidin-2-ylethyl)propanamide
CID 63952925

Frequently Asked Questions

What is the IUPAC name of N-(6-iodohexyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(6-iodohexyl)-3-(oxan-2-yl)propanamide (CID 107848186) is N-(6-iodohexyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(6-iodohexyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(6-iodohexyl)-3-(oxan-2-yl)propanamide is O=C(CCC1CCCCO1)NCCCCCCI.
What is the InChIKey of N-(6-iodohexyl)-3-(oxan-2-yl)propanamide?
The InChIKey is BULSJSYCMVROFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26INO2/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-iodohexyl)-3-(oxan-2-yl)propanamide?
N-(6-iodohexyl)-3-(oxan-2-yl)propanamide has a molecular weight of 367.27 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-iodohexyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 107848186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).