3-(2-oxocyclohexyl)-N-propan-2-ylpropanamide

C12H21NO2 — CID 102028824

IUPAC3-(2-oxocyclohexyl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCC1CCCCC1=O
InChIInChI=1S/C12H21NO2/c1-9(2)13-12(15)8-7-10-5-3-4-6-11(10)14/h9-10H,3-8H2,1-2H3,(H,13,15)
InChIKeyPKJSPKIUBRHKQL-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.05
Rot. Bonds4

About 3-(2-oxocyclohexyl)-N-propan-2-ylpropanamide

3-(2-oxocyclohexyl)-N-propan-2-ylpropanamide (PubChem CID 102028824) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-(2-oxocyclohexyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-oxocyclohexyl)-N-propan-2-ylpropanamide
PubChem CID102028824
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-(2-oxocyclohexyl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCC1CCCCC1=O
InChIInChI=1S/C12H21NO2/c1-9(2)13-12(15)8-7-10-5-3-4-6-11(10)14/h9-10H,3-8H2,1-2H3,(H,13,15)
InChIKeyPKJSPKIUBRHKQL-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxocyclohexyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-oxocyclohexyl)-N-propan-2-ylpropanamide (CID 102028824) is 3-(2-oxocyclohexyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-oxocyclohexyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-oxocyclohexyl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCC1CCCCC1=O.
What is the InChIKey of 3-(2-oxocyclohexyl)-N-propan-2-ylpropanamide?
The InChIKey is PKJSPKIUBRHKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)13-12(15)8-7-10-5-3-4-6-11(10)14/h9-10H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 3-(2-oxocyclohexyl)-N-propan-2-ylpropanamide?
3-(2-oxocyclohexyl)-N-propan-2-ylpropanamide has a molecular weight of 211.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxocyclohexyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 102028824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).