3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide

C13H25N3O2 — CID 114167213

IUPAC3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNCC(=O)N1CCCCCC1)C(N)=O
InChIInChI=1S/C13H25N3O2/c1-13(2,12(14)18)10-15-9-11(17)16-7-5-3-4-6-8-16/h15H,3-10H2,1-2H3,(H2,14,18)
InChIKeyMJIYZGFQARAANJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds5

About 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide

3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide (PubChem CID 114167213) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide
PubChem CID114167213
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNCC(=O)N1CCCCCC1)C(N)=O
InChIInChI=1S/C13H25N3O2/c1-13(2,12(14)18)10-15-9-11(17)16-7-5-3-4-6-8-16/h15H,3-10H2,1-2H3,(H2,14,18)
InChIKeyMJIYZGFQARAANJ-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide
CID 71918170
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone
CID 83143576
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28595912
N-(2-oxo-2-pyrrolidin-1-ylethyl)formamide
CID 89247006
1-(azepan-1-yl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethanone
CID 106256502
2-(2-aminoethylamino)-1-(azepan-1-yl)ethanone
CID 62140336
2-(2-aminoethylamino)-1-piperidin-1-ylethanone
CID 62140335
2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone
CID 106176895
2-[(2-oxo-2-piperidin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 43402015
2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone
CID 103746610
1-(azepan-1-yl)-2-[(3-hydroxy-4-methoxybutyl)amino]ethanone
CID 114163624

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide (CID 114167213) is 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide is CC(C)(CNCC(=O)N1CCCCCC1)C(N)=O.
What is the InChIKey of 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide?
The InChIKey is MJIYZGFQARAANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2,12(14)18)10-15-9-11(17)16-7-5-3-4-6-8-16/h15H,3-10H2,1-2H3,(H2,14,18).
What are the key properties of 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide?
3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 114167213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).