N-cyclohexyl-3,4-dimethoxybenzamide

C15H21NO3 — CID 736959

IUPACN-cyclohexyl-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C15H21NO3/c1-18-13-9-8-11(10-14(13)19-2)15(17)16-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,16,17)
InChIKeyQPJQDANJFGRQFO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.77
Rot. Bonds4

About N-cyclohexyl-3,4-dimethoxybenzamide

N-cyclohexyl-3,4-dimethoxybenzamide (PubChem CID 736959) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-cyclohexyl-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-cyclohexyl-3,4-dimethoxybenzamide
PubChem CID736959
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-cyclohexyl-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C15H21NO3/c1-18-13-9-8-11(10-14(13)19-2)15(17)16-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,16,17)
InChIKeyQPJQDANJFGRQFO-UHFFFAOYSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,4-dimethoxybenzamide?
The IUPAC name of N-cyclohexyl-3,4-dimethoxybenzamide (CID 736959) is N-cyclohexyl-3,4-dimethoxybenzamide.
What is the SMILES notation for N-cyclohexyl-3,4-dimethoxybenzamide?
The canonical SMILES for N-cyclohexyl-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC2CCCCC2)cc1OC.
What is the InChIKey of N-cyclohexyl-3,4-dimethoxybenzamide?
The InChIKey is QPJQDANJFGRQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-13-9-8-11(10-14(13)19-2)15(17)16-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-cyclohexyl-3,4-dimethoxybenzamide?
N-cyclohexyl-3,4-dimethoxybenzamide has a molecular weight of 263.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,4-dimethoxybenzamide is sourced from PubChem (CID 736959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).