N-cyclohexyl-2,4-dimethoxy-N-pyridin-2-ylbenzamide

C20H24N2O3 — CID 4964110

IUPACN-cyclohexyl-2,4-dimethoxy-N-pyridin-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(c2ccccn2)C2CCCCC2)c(OC)c1
InChIInChI=1S/C20H24N2O3/c1-24-16-11-12-17(18(14-16)25-2)20(23)22(15-8-4-3-5-9-15)19-10-6-7-13-21-19/h6-7,10-15H,3-5,8-9H2,1-2H3
InChIKeyHOBJTLGMBYMLQH-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.08
Rot. Bonds5

About N-cyclohexyl-2,4-dimethoxy-N-pyridin-2-ylbenzamide

N-cyclohexyl-2,4-dimethoxy-N-pyridin-2-ylbenzamide (PubChem CID 4964110) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-cyclohexyl-2,4-dimethoxy-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-2,4-dimethoxy-N-pyridin-2-ylbenzamide
PubChem CID4964110
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-cyclohexyl-2,4-dimethoxy-N-pyridin-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(c2ccccn2)C2CCCCC2)c(OC)c1
InChIInChI=1S/C20H24N2O3/c1-24-16-11-12-17(18(14-16)25-2)20(23)22(15-8-4-3-5-9-15)19-10-6-7-13-21-19/h6-7,10-15H,3-5,8-9H2,1-2H3
InChIKeyHOBJTLGMBYMLQH-UHFFFAOYSA-N
XLogP4.08
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,4-dimethoxy-N-pyridin-2-ylbenzamide?
The IUPAC name of N-cyclohexyl-2,4-dimethoxy-N-pyridin-2-ylbenzamide (CID 4964110) is N-cyclohexyl-2,4-dimethoxy-N-pyridin-2-ylbenzamide.
What is the SMILES notation for N-cyclohexyl-2,4-dimethoxy-N-pyridin-2-ylbenzamide?
The canonical SMILES for N-cyclohexyl-2,4-dimethoxy-N-pyridin-2-ylbenzamide is COc1ccc(C(=O)N(c2ccccn2)C2CCCCC2)c(OC)c1.
What is the InChIKey of N-cyclohexyl-2,4-dimethoxy-N-pyridin-2-ylbenzamide?
The InChIKey is HOBJTLGMBYMLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-16-11-12-17(18(14-16)25-2)20(23)22(15-8-4-3-5-9-15)19-10-6-7-13-21-19/h6-7,10-15H,3-5,8-9H2,1-2H3.
What are the key properties of N-cyclohexyl-2,4-dimethoxy-N-pyridin-2-ylbenzamide?
N-cyclohexyl-2,4-dimethoxy-N-pyridin-2-ylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,4-dimethoxy-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 4964110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).