2-(azepan-1-yl)-N-(propan-2-ylcarbamoyl)acetamide

C12H23N3O2 — CID 8895663

IUPAC2-(azepan-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CN1CCCCCC1
InChIInChI=1S/C12H23N3O2/c1-10(2)13-12(17)14-11(16)9-15-7-5-3-4-6-8-15/h10H,3-9H2,1-2H3,(H2,13,14,16,17)
InChIKeyJHAFMALYWXXSHF-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.10
Rot. Bonds3

About 2-(azepan-1-yl)-N-(propan-2-ylcarbamoyl)acetamide

2-(azepan-1-yl)-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 8895663) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID8895663
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(azepan-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CN1CCCCCC1
InChIInChI=1S/C12H23N3O2/c1-10(2)13-12(17)14-11(16)9-15-7-5-3-4-6-8-15/h10H,3-9H2,1-2H3,(H2,13,14,16,17)
InChIKeyJHAFMALYWXXSHF-UHFFFAOYSA-N
XLogP1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(propan-2-ylcarbamoyl)acetamide (CID 8895663) is 2-(azepan-1-yl)-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is JHAFMALYWXXSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10(2)13-12(17)14-11(16)9-15-7-5-3-4-6-8-15/h10H,3-9H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 2-(azepan-1-yl)-N-(propan-2-ylcarbamoyl)acetamide?
2-(azepan-1-yl)-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 241.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 8895663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).