2-[(4S)-4-tert-butylazepan-1-yl]-N-(oxan-4-yl)acetamide

C17H32N2O2 — CID 95628909

IUPAC2-[(4S)-4-tert-butylazepan-1-yl]-N-(oxan-4-yl)acetamide
SMILESCC(C)(C)[C@H]1CCCN(CC(=O)NC2CCOCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)14-5-4-9-19(10-6-14)13-16(20)18-15-7-11-21-12-8-15/h14-15H,4-13H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyGMRHXYHCOLXCNK-AWEZNQCLSA-N
MW296.46 g/mol
LogP2.43
Rot. Bonds3

About 2-[(4S)-4-tert-butylazepan-1-yl]-N-(oxan-4-yl)acetamide

2-[(4S)-4-tert-butylazepan-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 95628909) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-[(4S)-4-tert-butylazepan-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-tert-butylazepan-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID95628909
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name2-[(4S)-4-tert-butylazepan-1-yl]-N-(oxan-4-yl)acetamide
SMILESCC(C)(C)[C@H]1CCCN(CC(=O)NC2CCOCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)14-5-4-9-19(10-6-14)13-16(20)18-15-7-11-21-12-8-15/h14-15H,4-13H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyGMRHXYHCOLXCNK-AWEZNQCLSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-tert-butylazepan-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(4S)-4-tert-butylazepan-1-yl]-N-(oxan-4-yl)acetamide (CID 95628909) is 2-[(4S)-4-tert-butylazepan-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(4S)-4-tert-butylazepan-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(4S)-4-tert-butylazepan-1-yl]-N-(oxan-4-yl)acetamide is CC(C)(C)[C@H]1CCCN(CC(=O)NC2CCOCC2)CC1.
What is the InChIKey of 2-[(4S)-4-tert-butylazepan-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is GMRHXYHCOLXCNK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2,3)14-5-4-9-19(10-6-14)13-16(20)18-15-7-11-21-12-8-15/h14-15H,4-13H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of 2-[(4S)-4-tert-butylazepan-1-yl]-N-(oxan-4-yl)acetamide?
2-[(4S)-4-tert-butylazepan-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 296.46 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-tert-butylazepan-1-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 95628909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).