2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide

C15H30N2O — CID 54957422

IUPAC2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNC1CCCCC1CC
InChIInChI=1S/C15H30N2O/c1-4-8-12(3)17-15(18)11-16-14-10-7-6-9-13(14)5-2/h12-14,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyKFLIJGXPULYNOJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.85
Rot. Bonds7

About 2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide

2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide (PubChem CID 54957422) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide
PubChem CID54957422
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNC1CCCCC1CC
InChIInChI=1S/C15H30N2O/c1-4-8-12(3)17-15(18)11-16-14-10-7-6-9-13(14)5-2/h12-14,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyKFLIJGXPULYNOJ-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide (CID 54957422) is 2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CNC1CCCCC1CC.
What is the InChIKey of 2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide?
The InChIKey is KFLIJGXPULYNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-8-12(3)17-15(18)11-16-14-10-7-6-9-13(14)5-2/h12-14,16H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide?
2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide has a molecular weight of 254.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 54957422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).