6-amino-N-(2-oxoazepan-3-yl)hexanamide

C12H23N3O2 — CID 43704092

IUPAC6-amino-N-(2-oxoazepan-3-yl)hexanamide
SMILESNCCCCCC(=O)NC1CCCCNC1=O
InChIInChI=1S/C12H23N3O2/c13-8-4-1-2-7-11(16)15-10-6-3-5-9-14-12(10)17/h10H,1-9,13H2,(H,14,17)(H,15,16)
InChIKeySFJPOFZXHQJSHC-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.29
Rot. Bonds6

About 6-amino-N-(2-oxoazepan-3-yl)hexanamide

6-amino-N-(2-oxoazepan-3-yl)hexanamide (PubChem CID 43704092) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 6-amino-N-(2-oxoazepan-3-yl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(2-oxoazepan-3-yl)hexanamide
PubChem CID43704092
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name6-amino-N-(2-oxoazepan-3-yl)hexanamide
SMILESNCCCCCC(=O)NC1CCCCNC1=O
InChIInChI=1S/C12H23N3O2/c13-8-4-1-2-7-11(16)15-10-6-3-5-9-14-12(10)17/h10H,1-9,13H2,(H,14,17)(H,15,16)
InChIKeySFJPOFZXHQJSHC-UHFFFAOYSA-N
XLogP0.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 6-amino-N-(2-oxoazepan-3-yl)hexanamide?
The IUPAC name of 6-amino-N-(2-oxoazepan-3-yl)hexanamide (CID 43704092) is 6-amino-N-(2-oxoazepan-3-yl)hexanamide.
What is the SMILES notation for 6-amino-N-(2-oxoazepan-3-yl)hexanamide?
The canonical SMILES for 6-amino-N-(2-oxoazepan-3-yl)hexanamide is NCCCCCC(=O)NC1CCCCNC1=O.
What is the InChIKey of 6-amino-N-(2-oxoazepan-3-yl)hexanamide?
The InChIKey is SFJPOFZXHQJSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-8-4-1-2-7-11(16)15-10-6-3-5-9-14-12(10)17/h10H,1-9,13H2,(H,14,17)(H,15,16).
What are the key properties of 6-amino-N-(2-oxoazepan-3-yl)hexanamide?
6-amino-N-(2-oxoazepan-3-yl)hexanamide has a molecular weight of 241.33 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-oxoazepan-3-yl)hexanamide is sourced from PubChem (CID 43704092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).