N-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide

C11H20N2O2 — CID 79120336

IUPACN-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide
SMILESCNC(=O)CCN(C)C1CCC(=O)CC1
InChIInChI=1S/C11H20N2O2/c1-12-11(15)7-8-13(2)9-3-5-10(14)6-4-9/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyYZHKGVHSVBUCGX-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.57
Rot. Bonds4

About N-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide

N-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide (PubChem CID 79120336) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide
PubChem CID79120336
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide
SMILESCNC(=O)CCN(C)C1CCC(=O)CC1
InChIInChI=1S/C11H20N2O2/c1-12-11(15)7-8-13(2)9-3-5-10(14)6-4-9/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyYZHKGVHSVBUCGX-UHFFFAOYSA-N
XLogP0.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide?
The IUPAC name of N-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide (CID 79120336) is N-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide.
What is the SMILES notation for N-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide?
The canonical SMILES for N-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide is CNC(=O)CCN(C)C1CCC(=O)CC1.
What is the InChIKey of N-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide?
The InChIKey is YZHKGVHSVBUCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-11(15)7-8-13(2)9-3-5-10(14)6-4-9/h9H,3-8H2,1-2H3,(H,12,15).
What are the key properties of N-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide?
N-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide has a molecular weight of 212.29 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanamide is sourced from PubChem (CID 79120336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).