acetic acid;N-(2-aminoethyl)octanamide

C16H34N2O7 — CID 161257212

IUPACacetic acid;N-(2-aminoethyl)octanamide
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CCCCCCCC(=O)NCCN
InChIInChI=1S/C10H22N2O.3C2H4O2/c1-2-3-4-5-6-7-10(13)12-9-8-11;3*1-2(3)4/h2-9,11H2,1H3,(H,12,13);3*1H3,(H,3,4)
InChIKeyVCBSMZIQJVUAQS-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.69
Rot. Bonds8

About acetic acid;N-(2-aminoethyl)octanamide

acetic acid;N-(2-aminoethyl)octanamide (PubChem CID 161257212) has the molecular formula C16H34N2O7 and a molecular weight of 366.46 g/mol. Its IUPAC name is acetic acid;N-(2-aminoethyl)octanamide.

Molecular Properties

Compound Nameacetic acid;N-(2-aminoethyl)octanamide
PubChem CID161257212
Molecular FormulaC16H34N2O7
Molecular Weight366.46 g/mol
Exact Mass366.24
IUPAC Nameacetic acid;N-(2-aminoethyl)octanamide
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CCCCCCCC(=O)NCCN
InChIInChI=1S/C10H22N2O.3C2H4O2/c1-2-3-4-5-6-7-10(13)12-9-8-11;3*1-2(3)4/h2-9,11H2,1H3,(H,12,13);3*1H3,(H,3,4)
InChIKeyVCBSMZIQJVUAQS-UHFFFAOYSA-N
XLogP1.69
TPSA167.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)nonanamide
CID 13028008
N-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide
CID 102194596
acetic acid;N-octylhexacosanamide
CID 175173130
N-[2-(2-aminoethylamino)ethyl]heptadecanamide
CID 13469785
N-[2-(2-aminoethylamino)ethyl]nonanamide
CID 11959333
N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide
CID 71344394
N,N'-bis(2-aminoethyl)-7,8-didecyltetradecanediamide
CID 89347828
N,N'-bis(2-aminoethyl)-10,11-dioctylicosanediamide
CID 58975602
N-(2-aminoethyl)hexadecanamide;(Z)-docos-13-enoic acid
CID 174758491
N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide
CID 175205777
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(9-aminononyl)nonanamide
CID 154091260

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-(2-aminoethyl)octanamide?
The IUPAC name of acetic acid;N-(2-aminoethyl)octanamide (CID 161257212) is acetic acid;N-(2-aminoethyl)octanamide.
What is the SMILES notation for acetic acid;N-(2-aminoethyl)octanamide?
The canonical SMILES for acetic acid;N-(2-aminoethyl)octanamide is CC(=O)O.CC(=O)O.CC(=O)O.CCCCCCCC(=O)NCCN.
What is the InChIKey of acetic acid;N-(2-aminoethyl)octanamide?
The InChIKey is VCBSMZIQJVUAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.3C2H4O2/c1-2-3-4-5-6-7-10(13)12-9-8-11;3*1-2(3)4/h2-9,11H2,1H3,(H,12,13);3*1H3,(H,3,4).
What are the key properties of acetic acid;N-(2-aminoethyl)octanamide?
acetic acid;N-(2-aminoethyl)octanamide has a molecular weight of 366.46 g/mol, XLogP of 1.69, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-(2-aminoethyl)octanamide is sourced from PubChem (CID 161257212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).