2,2-dimethyl-N-(2-oxo-1-pentylazepan-3-yl)propanamide

C16H30N2O2 — CID 56643340

IUPAC2,2-dimethyl-N-(2-oxo-1-pentylazepan-3-yl)propanamide
SMILESCCCCCN1CCCCC(NC(=O)C(C)(C)C)C1=O
InChIInChI=1S/C16H30N2O2/c1-5-6-8-11-18-12-9-7-10-13(14(18)19)17-15(20)16(2,3)4/h13H,5-12H2,1-4H3,(H,17,20)
InChIKeyGGLMZNKEPRGWKK-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.72
Rot. Bonds5

About 2,2-dimethyl-N-(2-oxo-1-pentylazepan-3-yl)propanamide

2,2-dimethyl-N-(2-oxo-1-pentylazepan-3-yl)propanamide (PubChem CID 56643340) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-oxo-1-pentylazepan-3-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-oxo-1-pentylazepan-3-yl)propanamide
PubChem CID56643340
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2,2-dimethyl-N-(2-oxo-1-pentylazepan-3-yl)propanamide
SMILESCCCCCN1CCCCC(NC(=O)C(C)(C)C)C1=O
InChIInChI=1S/C16H30N2O2/c1-5-6-8-11-18-12-9-7-10-13(14(18)19)17-15(20)16(2,3)4/h13H,5-12H2,1-4H3,(H,17,20)
InChIKeyGGLMZNKEPRGWKK-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.72
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 2,2-dimethyl-N-(2-oxo-1-pentylazepan-3-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-oxo-1-pentylazepan-3-yl)propanamide (CID 56643340) is 2,2-dimethyl-N-(2-oxo-1-pentylazepan-3-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-oxo-1-pentylazepan-3-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-oxo-1-pentylazepan-3-yl)propanamide is CCCCCN1CCCCC(NC(=O)C(C)(C)C)C1=O.
What is the InChIKey of 2,2-dimethyl-N-(2-oxo-1-pentylazepan-3-yl)propanamide?
The InChIKey is GGLMZNKEPRGWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-6-8-11-18-12-9-7-10-13(14(18)19)17-15(20)16(2,3)4/h13H,5-12H2,1-4H3,(H,17,20).
What are the key properties of 2,2-dimethyl-N-(2-oxo-1-pentylazepan-3-yl)propanamide?
2,2-dimethyl-N-(2-oxo-1-pentylazepan-3-yl)propanamide has a molecular weight of 282.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-oxo-1-pentylazepan-3-yl)propanamide is sourced from PubChem (CID 56643340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).