acetamido hexanoate

C8H15NO3 — CID 57050446

IUPACacetamido hexanoate
SMILESCCCCCC(=O)ONC(C)=O
InChIInChI=1S/C8H15NO3/c1-3-4-5-6-8(11)12-9-7(2)10/h3-6H2,1-2H3,(H,9,10)
InChIKeyFNNDMHBNZZLBRJ-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.16
Rot. Bonds4

About acetamido hexanoate

acetamido hexanoate (PubChem CID 57050446) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is acetamido hexanoate.

Molecular Properties

Compound Nameacetamido hexanoate
PubChem CID57050446
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameacetamido hexanoate
SMILESCCCCCC(=O)ONC(C)=O
InChIInChI=1S/C8H15NO3/c1-3-4-5-6-8(11)12-9-7(2)10/h3-6H2,1-2H3,(H,9,10)
InChIKeyFNNDMHBNZZLBRJ-UHFFFAOYSA-N
XLogP1.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetamido 6-oxoheptanoate
CID 90719639
(methoxycarbonylamino) octanoate
CID 87952242
(ethoxycarbonylamino) pentadecanoate
CID 175508172
[(2-methylpropan-2-yl)oxycarbonylamino] hexadecanoate
CID 57188346
[(4-amino-4-oxobutanoyl)amino] hexadecanoate
CID 87091320
ethylamino decanoate
CID 151278124
(octadecanoylamino) (Z)-octadec-9-enoate
CID 88515409
acetic acid;methyl hexanoate
CID 174781509
(hexylamino) octanoate
CID 174754807
(ethoxyamino) hexanoate
CID 175072174
(dodecylamino) octanoate
CID 175102615
calcium;hydride;10-(octadecanoylamino)oxy-10-oxodecanoic acid
CID 173298911

Frequently Asked Questions

What is the IUPAC name of acetamido hexanoate?
The IUPAC name of acetamido hexanoate (CID 57050446) is acetamido hexanoate.
What is the SMILES notation for acetamido hexanoate?
The canonical SMILES for acetamido hexanoate is CCCCCC(=O)ONC(C)=O.
What is the InChIKey of acetamido hexanoate?
The InChIKey is FNNDMHBNZZLBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-4-5-6-8(11)12-9-7(2)10/h3-6H2,1-2H3,(H,9,10).
What are the key properties of acetamido hexanoate?
acetamido hexanoate has a molecular weight of 173.21 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamido hexanoate is sourced from PubChem (CID 57050446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).