N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide

C14H26N2O2 — CID 113166142

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide
SMILESCC(=O)N(CC(=O)N1CCCCCC1)C(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-12(17)16(14(2,3)4)11-13(18)15-9-7-5-6-8-10-15/h5-11H2,1-4H3
InChIKeyITKBDSQCQVEORQ-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.04
Rot. Bonds2

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide (PubChem CID 113166142) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide
PubChem CID113166142
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide
SMILESCC(=O)N(CC(=O)N1CCCCCC1)C(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-12(17)16(14(2,3)4)11-13(18)15-9-7-5-6-8-10-15/h5-11H2,1-4H3
InChIKeyITKBDSQCQVEORQ-UHFFFAOYSA-N
XLogP2.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113166258
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylmethanesulfonamide
CID 113152914
2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid
CID 79256503
N-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-ylacetamide
CID 113158106
N-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113166120
2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone
CID 62008767
N-[(2S)-but-3-yn-2-yl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 102455396
2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone
CID 78843214
3-tert-butyl-1-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 115574206
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide
CID 113166274

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide (CID 113166142) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide is CC(=O)N(CC(=O)N1CCCCCC1)C(C)(C)C.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide?
The InChIKey is ITKBDSQCQVEORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(17)16(14(2,3)4)11-13(18)15-9-7-5-6-8-10-15/h5-11H2,1-4H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide has a molecular weight of 254.37 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide is sourced from PubChem (CID 113166142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).