2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide

C16H23NO4 — CID 56973896

IUPAC2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCCCC2C(N)=O)c(OC)c1OC
InChIInChI=1S/C16H23NO4/c1-19-13-9-8-11(14(20-2)15(13)21-3)10-6-4-5-7-12(10)16(17)18/h8-10,12H,4-7H2,1-3H3,(H2,17,18)
InChIKeyUAGSMAKXLAAGNM-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.47
Rot. Bonds5

About 2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide

2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 56973896) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide
PubChem CID56973896
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCCCC2C(N)=O)c(OC)c1OC
InChIInChI=1S/C16H23NO4/c1-19-13-9-8-11(14(20-2)15(13)21-3)10-6-4-5-7-12(10)16(17)18/h8-10,12H,4-7H2,1-3H3,(H2,17,18)
InChIKeyUAGSMAKXLAAGNM-UHFFFAOYSA-N
XLogP2.47
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide (CID 56973896) is 2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide is COc1ccc(C2CCCCC2C(N)=O)c(OC)c1OC.
What is the InChIKey of 2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is UAGSMAKXLAAGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-13-9-8-11(14(20-2)15(13)21-3)10-6-4-5-7-12(10)16(17)18/h8-10,12H,4-7H2,1-3H3,(H2,17,18).
What are the key properties of 2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide?
2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 293.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 56973896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).