N-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide

C15H19NO3 — CID 683219

IUPACN-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C15H19NO3/c17-15(12-4-2-1-3-5-12)16-9-11-6-7-13-14(8-11)19-10-18-13/h6-8,12H,1-5,9-10H2,(H,16,17)
InChIKeyGDZDEBICGBTCRX-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.61
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide

N-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide (PubChem CID 683219) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide
PubChem CID683219
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C15H19NO3/c17-15(12-4-2-1-3-5-12)16-9-11-6-7-13-14(8-11)19-10-18-13/h6-8,12H,1-5,9-10H2,(H,16,17)
InChIKeyGDZDEBICGBTCRX-UHFFFAOYSA-N
XLogP2.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide (CID 683219) is N-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide is O=C(NCc1ccc2c(c1)OCO2)C1CCCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide?
The InChIKey is GDZDEBICGBTCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(12-4-2-1-3-5-12)16-9-11-6-7-13-14(8-11)19-10-18-13/h6-8,12H,1-5,9-10H2,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide?
N-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 683219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).