N,N,2-trimethyl-2-(3-oxocyclohexyl)propanamide

C12H21NO2 — CID 14507555

IUPACN,N,2-trimethyl-2-(3-oxocyclohexyl)propanamide
SMILESCN(C)C(=O)C(C)(C)C1CCCC(=O)C1
InChIInChI=1S/C12H21NO2/c1-12(2,11(15)13(3)4)9-6-5-7-10(14)8-9/h9H,5-8H2,1-4H3
InChIKeyIOISCVNDOXKQLN-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.86
Rot. Bonds2

About N,N,2-trimethyl-2-(3-oxocyclohexyl)propanamide

N,N,2-trimethyl-2-(3-oxocyclohexyl)propanamide (PubChem CID 14507555) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is N,N,2-trimethyl-2-(3-oxocyclohexyl)propanamide.

Molecular Properties

Compound NameN,N,2-trimethyl-2-(3-oxocyclohexyl)propanamide
PubChem CID14507555
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC NameN,N,2-trimethyl-2-(3-oxocyclohexyl)propanamide
SMILESCN(C)C(=O)C(C)(C)C1CCCC(=O)C1
InChIInChI=1S/C12H21NO2/c1-12(2,11(15)13(3)4)9-6-5-7-10(14)8-9/h9H,5-8H2,1-4H3
InChIKeyIOISCVNDOXKQLN-UHFFFAOYSA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-2-(3-oxocyclohexyl)propanamide?
The IUPAC name of N,N,2-trimethyl-2-(3-oxocyclohexyl)propanamide (CID 14507555) is N,N,2-trimethyl-2-(3-oxocyclohexyl)propanamide.
What is the SMILES notation for N,N,2-trimethyl-2-(3-oxocyclohexyl)propanamide?
The canonical SMILES for N,N,2-trimethyl-2-(3-oxocyclohexyl)propanamide is CN(C)C(=O)C(C)(C)C1CCCC(=O)C1.
What is the InChIKey of N,N,2-trimethyl-2-(3-oxocyclohexyl)propanamide?
The InChIKey is IOISCVNDOXKQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2,11(15)13(3)4)9-6-5-7-10(14)8-9/h9H,5-8H2,1-4H3.
What are the key properties of N,N,2-trimethyl-2-(3-oxocyclohexyl)propanamide?
N,N,2-trimethyl-2-(3-oxocyclohexyl)propanamide has a molecular weight of 211.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-2-(3-oxocyclohexyl)propanamide is sourced from PubChem (CID 14507555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).