ethane;2-(ethylamino)-N-(6-oxooctyl)acetamide

C14H30N2O2 — CID 162725840

IUPACethane;2-(ethylamino)-N-(6-oxooctyl)acetamide
SMILESCC.CCNCC(=O)NCCCCCC(=O)CC
InChIInChI=1S/C12H24N2O2.C2H6/c1-3-11(15)8-6-5-7-9-14-12(16)10-13-4-2;1-2/h13H,3-10H2,1-2H3,(H,14,16);1-2H3
InChIKeyLCXSYPIZDYJCNL-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.28
Rot. Bonds10

About ethane;2-(ethylamino)-N-(6-oxooctyl)acetamide

ethane;2-(ethylamino)-N-(6-oxooctyl)acetamide (PubChem CID 162725840) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is ethane;2-(ethylamino)-N-(6-oxooctyl)acetamide.

Molecular Properties

Compound Nameethane;2-(ethylamino)-N-(6-oxooctyl)acetamide
PubChem CID162725840
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nameethane;2-(ethylamino)-N-(6-oxooctyl)acetamide
SMILESCC.CCNCC(=O)NCCCCCC(=O)CC
InChIInChI=1S/C12H24N2O2.C2H6/c1-3-11(15)8-6-5-7-9-14-12(16)10-13-4-2;1-2/h13H,3-10H2,1-2H3,(H,14,16);1-2H3
InChIKeyLCXSYPIZDYJCNL-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.28
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

N-(8-oxodecyl)-2-(propan-2-ylamino)acetamide
CID 156798496
N-(10-oxododecyl)acetamide
CID 164677162
N-(7-oxodecyl)-7-[[2-(propylamino)acetyl]amino]heptanamide
CID 23394473
N-(4-oxohexyl)octadecanamide
CID 90448629
N-(4-oxohexyl)pentadecanamide
CID 170421941
8-oxo-N-propyldecanamide
CID 156819961
N-hexadecyl-4-oxohexanamide
CID 59141452
1-methyl-3-(7-oxononyl)urea
CID 158424786
2-ethoxy-N-(8-oxodecyl)acetamide;molecular hydrogen
CID 171554520
3,3,5,5-tetramethyl-N-(6-oxooctyl)hexanamide
CID 178052296
N-(6-oxooctyl)-4-propoxybutanamide
CID 170362710
N-(8-oxotridecyl)hexanamide
CID 148531467

Frequently Asked Questions

What is the IUPAC name of ethane;2-(ethylamino)-N-(6-oxooctyl)acetamide?
The IUPAC name of ethane;2-(ethylamino)-N-(6-oxooctyl)acetamide (CID 162725840) is ethane;2-(ethylamino)-N-(6-oxooctyl)acetamide.
What is the SMILES notation for ethane;2-(ethylamino)-N-(6-oxooctyl)acetamide?
The canonical SMILES for ethane;2-(ethylamino)-N-(6-oxooctyl)acetamide is CC.CCNCC(=O)NCCCCCC(=O)CC.
What is the InChIKey of ethane;2-(ethylamino)-N-(6-oxooctyl)acetamide?
The InChIKey is LCXSYPIZDYJCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C2H6/c1-3-11(15)8-6-5-7-9-14-12(16)10-13-4-2;1-2/h13H,3-10H2,1-2H3,(H,14,16);1-2H3.
What are the key properties of ethane;2-(ethylamino)-N-(6-oxooctyl)acetamide?
ethane;2-(ethylamino)-N-(6-oxooctyl)acetamide has a molecular weight of 258.41 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(ethylamino)-N-(6-oxooctyl)acetamide is sourced from PubChem (CID 162725840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).