N,N-dimethyl-3-(4-oxocyclohexyl)pentanamide

C13H23NO2 — CID 58562824

IUPACN,N-dimethyl-3-(4-oxocyclohexyl)pentanamide
SMILESCCC(CC(=O)N(C)C)C1CCC(=O)CC1
InChIInChI=1S/C13H23NO2/c1-4-10(9-13(16)14(2)3)11-5-7-12(15)8-6-11/h10-11H,4-9H2,1-3H3
InChIKeyQWVVGTRFROSRGS-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.25
Rot. Bonds4

About N,N-dimethyl-3-(4-oxocyclohexyl)pentanamide

N,N-dimethyl-3-(4-oxocyclohexyl)pentanamide (PubChem CID 58562824) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-oxocyclohexyl)pentanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-oxocyclohexyl)pentanamide
PubChem CID58562824
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN,N-dimethyl-3-(4-oxocyclohexyl)pentanamide
SMILESCCC(CC(=O)N(C)C)C1CCC(=O)CC1
InChIInChI=1S/C13H23NO2/c1-4-10(9-13(16)14(2)3)11-5-7-12(15)8-6-11/h10-11H,4-9H2,1-3H3
InChIKeyQWVVGTRFROSRGS-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethylcyclohexanecarboxamide
CID 567668
N,N-dimethyl-4-oxocyclohexane-1-carboxamide
CID 68003587
N,N,2-trimethyloctanamide
CID 87943776
2-Cyclohexyl-N,N-dimethylacetamide
CID 12760890
Cyclohexane-1,4-cis-dicarboxamide, N,N,N',N'-tetramethyl-
CID 551854
2-(Isopropyl)-N,N,5-trimethylcyclohexanecarboxamide
CID 3016104
N,N-diethyl-2-(4-methylcyclohexyl)acetamide
CID 10774870
2-(N,N-dimethyl-2-carbamoylethyl) cyclohexanone
CID 12171821
1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-dicarboxamide
CID 134893821
3-cyclohexyl-N,N-dimethylpropanamide
CID 4108486
N,N-diethyl-2-oxocyclohexane-1-carboxamide
CID 58194812
1-isopropyl-N,N-dimethylcyclohexanecarboxamide
CID 3016621

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-oxocyclohexyl)pentanamide?
The IUPAC name of N,N-dimethyl-3-(4-oxocyclohexyl)pentanamide (CID 58562824) is N,N-dimethyl-3-(4-oxocyclohexyl)pentanamide.
What is the SMILES notation for N,N-dimethyl-3-(4-oxocyclohexyl)pentanamide?
The canonical SMILES for N,N-dimethyl-3-(4-oxocyclohexyl)pentanamide is CCC(CC(=O)N(C)C)C1CCC(=O)CC1.
What is the InChIKey of N,N-dimethyl-3-(4-oxocyclohexyl)pentanamide?
The InChIKey is QWVVGTRFROSRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-10(9-13(16)14(2)3)11-5-7-12(15)8-6-11/h10-11H,4-9H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(4-oxocyclohexyl)pentanamide?
N,N-dimethyl-3-(4-oxocyclohexyl)pentanamide has a molecular weight of 225.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-oxocyclohexyl)pentanamide is sourced from PubChem (CID 58562824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).