N-(6-acetamidohexyl)acetamide

C10H20N2O2 — CID 3616

IUPACN-(6-acetamidohexyl)acetamide
SMILESCC(=O)NCCCCCCNC(C)=O
InChIInChI=1S/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyBNQSTAOJRULKNX-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.82
Rot. Bonds7

About N-(6-acetamidohexyl)acetamide

N-(6-acetamidohexyl)acetamide (PubChem CID 3616) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-(6-acetamidohexyl)acetamide.

Molecular Properties

Compound NameN-(6-acetamidohexyl)acetamide
PubChem CID3616
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-(6-acetamidohexyl)acetamide
SMILESCC(=O)NCCCCCCNC(C)=O
InChIInChI=1S/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyBNQSTAOJRULKNX-UHFFFAOYSA-N
XLogP0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-(6-acetamidohexyl)acetamide?
The IUPAC name of N-(6-acetamidohexyl)acetamide (CID 3616) is N-(6-acetamidohexyl)acetamide.
What is the SMILES notation for N-(6-acetamidohexyl)acetamide?
The canonical SMILES for N-(6-acetamidohexyl)acetamide is CC(=O)NCCCCCCNC(C)=O.
What is the InChIKey of N-(6-acetamidohexyl)acetamide?
The InChIKey is BNQSTAOJRULKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-(6-acetamidohexyl)acetamide?
N-(6-acetamidohexyl)acetamide has a molecular weight of 200.28 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamidohexyl)acetamide is sourced from PubChem (CID 3616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).