N-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]cyclohexanecarboxamide

C17H21NO4 — CID 18360677

IUPACN-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]cyclohexanecarboxamide
SMILESCOc1ccc2c(c1)OC(CNC(=O)C1CCCCC1)=CO2
InChIInChI=1S/C17H21NO4/c1-20-13-7-8-15-16(9-13)22-14(11-21-15)10-18-17(19)12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,18,19)
InChIKeyARXRJJWZQZPPNP-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.00
Rot. Bonds4

About N-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]cyclohexanecarboxamide

N-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]cyclohexanecarboxamide (PubChem CID 18360677) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]cyclohexanecarboxamide
PubChem CID18360677
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC NameN-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]cyclohexanecarboxamide
SMILESCOc1ccc2c(c1)OC(CNC(=O)C1CCCCC1)=CO2
InChIInChI=1S/C17H21NO4/c1-20-13-7-8-15-16(9-13)22-14(11-21-15)10-18-17(19)12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,18,19)
InChIKeyARXRJJWZQZPPNP-UHFFFAOYSA-N
XLogP3.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]cyclohexanecarboxamide (CID 18360677) is N-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]cyclohexanecarboxamide is COc1ccc2c(c1)OC(CNC(=O)C1CCCCC1)=CO2.
What is the InChIKey of N-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]cyclohexanecarboxamide?
The InChIKey is ARXRJJWZQZPPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-20-13-7-8-15-16(9-13)22-14(11-21-15)10-18-17(19)12-5-3-2-4-6-12/h7-9,11-12H,2-6,10H2,1H3,(H,18,19).
What are the key properties of N-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]cyclohexanecarboxamide?
N-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]cyclohexanecarboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-1,4-benzodioxin-3-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 18360677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).