2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide

C13H27N3O — CID 103983310

IUPAC2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C1CCCNCC1
InChIInChI=1S/C13H27N3O/c1-4-16(10-13(17)15-11(2)3)12-6-5-8-14-9-7-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyRMMOUMZBULZGQF-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.98
Rot. Bonds5

About 2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide

2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide (PubChem CID 103983310) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide
PubChem CID103983310
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C1CCCNCC1
InChIInChI=1S/C13H27N3O/c1-4-16(10-13(17)15-11(2)3)12-6-5-8-14-9-7-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyRMMOUMZBULZGQF-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60805793
N-butan-2-yl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300316
2-[(3-aminocyclohexyl)-ethylamino]-N-propan-2-ylacetamide
CID 79468061
N-propan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921653
2-[ethyl(piperidin-4-yl)amino]-N-propylacetamide
CID 60806113
2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide
CID 63300371
2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 104979554
N-(ethylcarbamoyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60806622
N-(cyclopentylcarbamoyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60807146
2-[ethyl(pyrrolidin-3-yl)amino]-N-(6-methylheptan-2-yl)acetamide
CID 63299866
2-[ethyl-(4-hydroxypyrrolidin-3-yl)amino]-N-propan-2-ylacetamide
CID 63701851
1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone
CID 60806605

Frequently Asked Questions

What is the IUPAC name of 2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide (CID 103983310) is 2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)C1CCCNCC1.
What is the InChIKey of 2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide?
The InChIKey is RMMOUMZBULZGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-16(10-13(17)15-11(2)3)12-6-5-8-14-9-7-12/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide?
2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide has a molecular weight of 241.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 103983310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).