acetamide;acetylene;N-(2-hydroxypentyl)octanamide

C17H34N2O3 — CID 162387958

IUPACacetamide;acetylene;N-(2-hydroxypentyl)octanamide
SMILESC#C.CC(N)=O.CCCCCCCC(=O)NCC(O)CCC
InChIInChI=1S/C13H27NO2.C2H5NO.C2H2/c1-3-5-6-7-8-10-13(16)14-11-12(15)9-4-2;1-2(3)4;1-2/h12,15H,3-11H2,1-2H3,(H,14,16);1H3,(H2,3,4);1-2H
InChIKeyIEKHPJBFSISTAE-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.37
Rot. Bonds10

About acetamide;acetylene;N-(2-hydroxypentyl)octanamide

acetamide;acetylene;N-(2-hydroxypentyl)octanamide (PubChem CID 162387958) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is acetamide;acetylene;N-(2-hydroxypentyl)octanamide.

Molecular Properties

Compound Nameacetamide;acetylene;N-(2-hydroxypentyl)octanamide
PubChem CID162387958
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nameacetamide;acetylene;N-(2-hydroxypentyl)octanamide
SMILESC#C.CC(N)=O.CCCCCCCC(=O)NCC(O)CCC
InChIInChI=1S/C13H27NO2.C2H5NO.C2H2/c1-3-5-6-7-8-10-13(16)14-11-12(15)9-4-2;1-2(3)4;1-2/h12,15H,3-11H2,1-2H3,(H,14,16);1H3,(H2,3,4);1-2H
InChIKeyIEKHPJBFSISTAE-UHFFFAOYSA-N
XLogP2.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypentyl)pentanamide
CID 115700612
12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
CID 22735081
4-(decanoylamino)-3-hydroxybutanoic acid
CID 23163718
N-(2-hydroxyoctadecyl)-17-oxooctatriacont-29-enamide
CID 54094491
N-[(2S)-2-hydroxyoctadecyl]-31-oxodopentacont-43-enamide
CID 57306980
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
N-[(2R)-2-hydroxyhexyl]-3-oxododecanamide
CID 167271048
[16-[[2-hydroxy-3-(octanoylamino)propyl]amino]-16-oxohexadecyl] octanoate
CID 153483284
[10-[[3-(decanoylamino)-2-hydroxypropyl]amino]-10-oxodecyl] hexadecanoate
CID 147853760
N-(2-methylpentyl)hexanamide
CID 173325003
N-(2-aminopropyl)octadecanamide
CID 86003506
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709

Frequently Asked Questions

What is the IUPAC name of acetamide;acetylene;N-(2-hydroxypentyl)octanamide?
The IUPAC name of acetamide;acetylene;N-(2-hydroxypentyl)octanamide (CID 162387958) is acetamide;acetylene;N-(2-hydroxypentyl)octanamide.
What is the SMILES notation for acetamide;acetylene;N-(2-hydroxypentyl)octanamide?
The canonical SMILES for acetamide;acetylene;N-(2-hydroxypentyl)octanamide is C#C.CC(N)=O.CCCCCCCC(=O)NCC(O)CCC.
What is the InChIKey of acetamide;acetylene;N-(2-hydroxypentyl)octanamide?
The InChIKey is IEKHPJBFSISTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2.C2H5NO.C2H2/c1-3-5-6-7-8-10-13(16)14-11-12(15)9-4-2;1-2(3)4;1-2/h12,15H,3-11H2,1-2H3,(H,14,16);1H3,(H2,3,4);1-2H.
What are the key properties of acetamide;acetylene;N-(2-hydroxypentyl)octanamide?
acetamide;acetylene;N-(2-hydroxypentyl)octanamide has a molecular weight of 314.47 g/mol, XLogP of 2.37, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;acetylene;N-(2-hydroxypentyl)octanamide is sourced from PubChem (CID 162387958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).