N-tert-butyl-2-(2-oxoazepan-1-yl)acetamide

C12H22N2O2 — CID 58033843

IUPACN-tert-butyl-2-(2-oxoazepan-1-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1CCCCCC1=O
InChIInChI=1S/C12H22N2O2/c1-12(2,3)13-10(15)9-14-8-6-4-5-7-11(14)16/h4-9H2,1-3H3,(H,13,15)
InChIKeyOGIYJXNMMMPTEQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.30
Rot. Bonds2

About N-tert-butyl-2-(2-oxoazepan-1-yl)acetamide

N-tert-butyl-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 58033843) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-tert-butyl-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-oxoazepan-1-yl)acetamide
PubChem CID58033843
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-tert-butyl-2-(2-oxoazepan-1-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1CCCCCC1=O
InChIInChI=1S/C12H22N2O2/c1-12(2,3)13-10(15)9-14-8-6-4-5-7-11(14)16/h4-9H2,1-3H3,(H,13,15)
InChIKeyOGIYJXNMMMPTEQ-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(2-oxoazepan-1-yl)acetamide (CID 58033843) is N-tert-butyl-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-oxoazepan-1-yl)acetamide is CC(C)(C)NC(=O)CN1CCCCCC1=O.
What is the InChIKey of N-tert-butyl-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is OGIYJXNMMMPTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)13-10(15)9-14-8-6-4-5-7-11(14)16/h4-9H2,1-3H3,(H,13,15).
What are the key properties of N-tert-butyl-2-(2-oxoazepan-1-yl)acetamide?
N-tert-butyl-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 226.32 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 58033843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).