N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexanecarboxamide

C13H23NO3 — CID 103762464

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexanecarboxamide
SMILESCC1(C)OCC(CNC(=O)C2CCCCC2)O1
InChIInChI=1S/C13H23NO3/c1-13(2)16-9-11(17-13)8-14-12(15)10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyQGPDWGJWTSAWQY-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.83
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexanecarboxamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexanecarboxamide (PubChem CID 103762464) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexanecarboxamide
PubChem CID103762464
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexanecarboxamide
SMILESCC1(C)OCC(CNC(=O)C2CCCCC2)O1
InChIInChI=1S/C13H23NO3/c1-13(2)16-9-11(17-13)8-14-12(15)10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyQGPDWGJWTSAWQY-UHFFFAOYSA-N
XLogP1.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexanecarboxamide (CID 103762464) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexanecarboxamide is CC1(C)OCC(CNC(=O)C2CCCCC2)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexanecarboxamide?
The InChIKey is QGPDWGJWTSAWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2)16-9-11(17-13)8-14-12(15)10-6-4-3-5-7-10/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexanecarboxamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexanecarboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 103762464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).