2-[ethyl-(4-oxocyclohexyl)amino]-N,N-dimethylacetamide

C12H22N2O2 — CID 114762062

IUPAC2-[ethyl-(4-oxocyclohexyl)amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)C1CCC(=O)CC1
InChIInChI=1S/C12H22N2O2/c1-4-14(9-12(16)13(2)3)10-5-7-11(15)8-6-10/h10H,4-9H2,1-3H3
InChIKeyWQPJHTCFGQEGRA-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.91
Rot. Bonds4

About 2-[ethyl-(4-oxocyclohexyl)amino]-N,N-dimethylacetamide

2-[ethyl-(4-oxocyclohexyl)amino]-N,N-dimethylacetamide (PubChem CID 114762062) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[ethyl-(4-oxocyclohexyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-(4-oxocyclohexyl)amino]-N,N-dimethylacetamide
PubChem CID114762062
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[ethyl-(4-oxocyclohexyl)amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)C1CCC(=O)CC1
InChIInChI=1S/C12H22N2O2/c1-4-14(9-12(16)13(2)3)10-5-7-11(15)8-6-10/h10H,4-9H2,1-3H3
InChIKeyWQPJHTCFGQEGRA-UHFFFAOYSA-N
XLogP0.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-oxocyclohexyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-(4-oxocyclohexyl)amino]-N,N-dimethylacetamide (CID 114762062) is 2-[ethyl-(4-oxocyclohexyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-(4-oxocyclohexyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-(4-oxocyclohexyl)amino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)C1CCC(=O)CC1.
What is the InChIKey of 2-[ethyl-(4-oxocyclohexyl)amino]-N,N-dimethylacetamide?
The InChIKey is WQPJHTCFGQEGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-14(9-12(16)13(2)3)10-5-7-11(15)8-6-10/h10H,4-9H2,1-3H3.
What are the key properties of 2-[ethyl-(4-oxocyclohexyl)amino]-N,N-dimethylacetamide?
2-[ethyl-(4-oxocyclohexyl)amino]-N,N-dimethylacetamide has a molecular weight of 226.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-oxocyclohexyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 114762062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).