N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide

C18H36N2O3 — CID 175959027

IUPACN-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide
SMILESCCCCCCNC(=O)C(C)OC(C)C(=O)NCCCCCC
InChIInChI=1S/C18H36N2O3/c1-5-7-9-11-13-19-17(21)15(3)23-16(4)18(22)20-14-12-10-8-6-2/h15-16H,5-14H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyILHVQTHYRUAWBU-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.17
Rot. Bonds14

About N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide

N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide (PubChem CID 175959027) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide.

Molecular Properties

Compound NameN-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide
PubChem CID175959027
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC NameN-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide
SMILESCCCCCCNC(=O)C(C)OC(C)C(=O)NCCCCCC
InChIInChI=1S/C18H36N2O3/c1-5-7-9-11-13-19-17(21)15(3)23-16(4)18(22)20-14-12-10-8-6-2/h15-16H,5-14H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyILHVQTHYRUAWBU-UHFFFAOYSA-N
XLogP3.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
CID 11392932
N-hexylacetamide
CID 24129
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N-pentadecylacetamide
CID 12009452
2-methyl-N-nonyldecanamide
CID 141429494
2-(dimethylamino)-N-octadecylpropanamide
CID 161206779
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
(2S)-3-amino-N-hexyl-2-methylpropanamide
CID 166872434
(2S,3S)-3-amino-2-hydroxy-N-octylbutanamide
CID 141156692
[(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate
CID 129383287
N-octadecyl-2-octylicosanamide
CID 154636535
N,N'-diheptyloxamide
CID 3417538

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide?
The IUPAC name of N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide (CID 175959027) is N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide.
What is the SMILES notation for N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide?
The canonical SMILES for N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide is CCCCCCNC(=O)C(C)OC(C)C(=O)NCCCCCC.
What is the InChIKey of N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide?
The InChIKey is ILHVQTHYRUAWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-5-7-9-11-13-19-17(21)15(3)23-16(4)18(22)20-14-12-10-8-6-2/h15-16H,5-14H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide?
N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide has a molecular weight of 328.50 g/mol, XLogP of 3.17, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide is sourced from PubChem (CID 175959027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).