2-(azepan-1-yl)-N-tert-butylacetamide

C12H24N2O — CID 18877375

IUPAC2-(azepan-1-yl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCCCCC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)13-11(15)10-14-8-6-4-5-7-9-14/h4-10H2,1-3H3,(H,13,15)
InChIKeyZVROWZNWXYOACK-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.78
Rot. Bonds2

About 2-(azepan-1-yl)-N-tert-butylacetamide

2-(azepan-1-yl)-N-tert-butylacetamide (PubChem CID 18877375) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-tert-butylacetamide
PubChem CID18877375
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(azepan-1-yl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCCCCC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)13-11(15)10-14-8-6-4-5-7-9-14/h4-10H2,1-3H3,(H,13,15)
InChIKeyZVROWZNWXYOACK-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide
CID 78808255
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 155097087
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;yttrium
CID 59282721
N-tert-butyl-2-(4-oxopiperidin-1-yl)acetamide
CID 24704213
2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride
CID 24845344
N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 121184695
2-(4-aminopiperidin-1-yl)-N-tert-butylacetamide;dihydrochloride
CID 56773517
N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide
CID 3066164
N-tert-butyl-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30641335
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9131221
N-(2-methylundecan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3066165
2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
CID 43186946

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-tert-butylacetamide?
The IUPAC name of 2-(azepan-1-yl)-N-tert-butylacetamide (CID 18877375) is 2-(azepan-1-yl)-N-tert-butylacetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-tert-butylacetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-tert-butylacetamide is CC(C)(C)NC(=O)CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-tert-butylacetamide?
The InChIKey is ZVROWZNWXYOACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)13-11(15)10-14-8-6-4-5-7-9-14/h4-10H2,1-3H3,(H,13,15).
What are the key properties of 2-(azepan-1-yl)-N-tert-butylacetamide?
2-(azepan-1-yl)-N-tert-butylacetamide has a molecular weight of 212.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-tert-butylacetamide is sourced from PubChem (CID 18877375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).