2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide

C13H26N2O — CID 86908322

IUPAC2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-11(2)12(3)14-13(16)10-15-8-6-4-5-7-9-15/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyVIIVKYSJMPCRLC-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds4

About 2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide

2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 86908322) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID86908322
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-11(2)12(3)14-13(16)10-15-8-6-4-5-7-9-15/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyVIIVKYSJMPCRLC-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119906862
N-(3-methylbutan-2-yl)-2-(4-oxopiperidin-1-yl)acetamide
CID 60691255
2-(3-aminopiperidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61297413
2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 102977545
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63248872
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119920920
N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 100836620
2-[[2-(azepan-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 82042989
3-ethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 63137615
N-[(2S)-1-methoxypropan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 94784934
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 86931069
N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
CID 8710475

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide (CID 86908322) is 2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is VIIVKYSJMPCRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)12(3)14-13(16)10-15-8-6-4-5-7-9-15/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide?
2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 226.36 g/mol, XLogP of 2.02, 4 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-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 86908322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).