2-(azocan-1-yl)-N-(cyclohexylcarbamoyl)acetamide

C16H29N3O2 — CID 2461765

IUPAC2-(azocan-1-yl)-N-(cyclohexylcarbamoyl)acetamide
SMILESO=C(CN1CCCCCCC1)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H29N3O2/c20-15(13-19-11-7-2-1-3-8-12-19)18-16(21)17-14-9-5-4-6-10-14/h14H,1-13H2,(H2,17,18,20,21)
InChIKeyVARLEUJKKVLFQO-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.41
Rot. Bonds3

About 2-(azocan-1-yl)-N-(cyclohexylcarbamoyl)acetamide

2-(azocan-1-yl)-N-(cyclohexylcarbamoyl)acetamide (PubChem CID 2461765) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-(cyclohexylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-(cyclohexylcarbamoyl)acetamide
PubChem CID2461765
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-(azocan-1-yl)-N-(cyclohexylcarbamoyl)acetamide
SMILESO=C(CN1CCCCCCC1)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H29N3O2/c20-15(13-19-11-7-2-1-3-8-12-19)18-16(21)17-14-9-5-4-6-10-14/h14H,1-13H2,(H2,17,18,20,21)
InChIKeyVARLEUJKKVLFQO-UHFFFAOYSA-N
XLogP2.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-(cyclohexylcarbamoyl)acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-(cyclohexylcarbamoyl)acetamide (CID 2461765) is 2-(azocan-1-yl)-N-(cyclohexylcarbamoyl)acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-(cyclohexylcarbamoyl)acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-(cyclohexylcarbamoyl)acetamide is O=C(CN1CCCCCCC1)NC(=O)NC1CCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-N-(cyclohexylcarbamoyl)acetamide?
The InChIKey is VARLEUJKKVLFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c20-15(13-19-11-7-2-1-3-8-12-19)18-16(21)17-14-9-5-4-6-10-14/h14H,1-13H2,(H2,17,18,20,21).
What are the key properties of 2-(azocan-1-yl)-N-(cyclohexylcarbamoyl)acetamide?
2-(azocan-1-yl)-N-(cyclohexylcarbamoyl)acetamide has a molecular weight of 295.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-(cyclohexylcarbamoyl)acetamide is sourced from PubChem (CID 2461765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).