N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide

C15H19NO3 — CID 2813904

IUPACN-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C15H19NO3/c1-16(12-5-3-2-4-6-12)15(17)11-7-8-13-14(9-11)19-10-18-13/h7-9,12H,2-6,10H2,1H3
InChIKeyGHHFVVKDPFUJGT-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.82
Rot. Bonds2

About N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide

N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide (PubChem CID 2813904) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide
PubChem CID2813904
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C15H19NO3/c1-16(12-5-3-2-4-6-12)15(17)11-7-8-13-14(9-11)19-10-18-13/h7-9,12H,2-6,10H2,1H3
InChIKeyGHHFVVKDPFUJGT-UHFFFAOYSA-N
XLogP2.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide (CID 2813904) is N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide is CN(C(=O)c1ccc2c(c1)OCO2)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is GHHFVVKDPFUJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-16(12-5-3-2-4-6-12)15(17)11-7-8-13-14(9-11)19-10-18-13/h7-9,12H,2-6,10H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide?
N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 2813904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).