2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide

C17H32N2O2 — CID 56643348

IUPAC2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide
SMILESCCCCCN1CCCCC(NC(=O)C(C)CCC)C1=O
InChIInChI=1S/C17H32N2O2/c1-4-6-8-12-19-13-9-7-11-15(17(19)21)18-16(20)14(3)10-5-2/h14-15H,4-13H2,1-3H3,(H,18,20)
InChIKeyCQGCSHNYUIVGOO-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.11
Rot. Bonds8

About 2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide

2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide (PubChem CID 56643348) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide
PubChem CID56643348
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide
SMILESCCCCCN1CCCCC(NC(=O)C(C)CCC)C1=O
InChIInChI=1S/C17H32N2O2/c1-4-6-8-12-19-13-9-7-11-15(17(19)21)18-16(20)14(3)10-5-2/h14-15H,4-13H2,1-3H3,(H,18,20)
InChIKeyCQGCSHNYUIVGOO-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
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 2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide?
The IUPAC name of 2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide (CID 56643348) is 2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide.
What is the SMILES notation for 2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide?
The canonical SMILES for 2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide is CCCCCN1CCCCC(NC(=O)C(C)CCC)C1=O.
What is the InChIKey of 2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide?
The InChIKey is CQGCSHNYUIVGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-6-8-12-19-13-9-7-11-15(17(19)21)18-16(20)14(3)10-5-2/h14-15H,4-13H2,1-3H3,(H,18,20).
What are the key properties of 2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide?
2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide has a molecular weight of 296.45 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxo-1-pentylazepan-3-yl)pentanamide is sourced from PubChem (CID 56643348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).