methyl 6-(6-acetamidohexanoylamino)hexanoate

C15H28N2O4 — CID 43406071

IUPACmethyl 6-(6-acetamidohexanoylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)CCCCCNC(C)=O
InChIInChI=1S/C15H28N2O4/c1-13(18)16-11-7-3-5-9-14(19)17-12-8-4-6-10-15(20)21-2/h3-12H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyRGLQUMBGIBJUMZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.53
Rot. Bonds12

About methyl 6-(6-acetamidohexanoylamino)hexanoate

methyl 6-(6-acetamidohexanoylamino)hexanoate (PubChem CID 43406071) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl 6-(6-acetamidohexanoylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(6-acetamidohexanoylamino)hexanoate
PubChem CID43406071
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Namemethyl 6-(6-acetamidohexanoylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)CCCCCNC(C)=O
InChIInChI=1S/C15H28N2O4/c1-13(18)16-11-7-3-5-9-14(19)17-12-8-4-6-10-15(20)21-2/h3-12H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyRGLQUMBGIBJUMZ-UHFFFAOYSA-N
XLogP1.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(6-acetamidohexanoylamino)hexanoate?
The IUPAC name of methyl 6-(6-acetamidohexanoylamino)hexanoate (CID 43406071) is methyl 6-(6-acetamidohexanoylamino)hexanoate.
What is the SMILES notation for methyl 6-(6-acetamidohexanoylamino)hexanoate?
The canonical SMILES for methyl 6-(6-acetamidohexanoylamino)hexanoate is COC(=O)CCCCCNC(=O)CCCCCNC(C)=O.
What is the InChIKey of methyl 6-(6-acetamidohexanoylamino)hexanoate?
The InChIKey is RGLQUMBGIBJUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-13(18)16-11-7-3-5-9-14(19)17-12-8-4-6-10-15(20)21-2/h3-12H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of methyl 6-(6-acetamidohexanoylamino)hexanoate?
methyl 6-(6-acetamidohexanoylamino)hexanoate has a molecular weight of 300.40 g/mol, XLogP of 1.53, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(6-acetamidohexanoylamino)hexanoate is sourced from PubChem (CID 43406071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).