N-(4-cyanooxan-4-yl)-2-methoxy-5-methylbenzamide

C15H18N2O3 — CID 75433443

IUPACN-(4-cyanooxan-4-yl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NC1(C#N)CCOCC1
InChIInChI=1S/C15H18N2O3/c1-11-3-4-13(19-2)12(9-11)14(18)17-15(10-16)5-7-20-8-6-15/h3-4,9H,5-8H2,1-2H3,(H,17,18)
InChIKeyOCUPXTHUKBDTBE-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.81
Rot. Bonds3

About N-(4-cyanooxan-4-yl)-2-methoxy-5-methylbenzamide

N-(4-cyanooxan-4-yl)-2-methoxy-5-methylbenzamide (PubChem CID 75433443) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(4-cyanooxan-4-yl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(4-cyanooxan-4-yl)-2-methoxy-5-methylbenzamide
PubChem CID75433443
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(4-cyanooxan-4-yl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NC1(C#N)CCOCC1
InChIInChI=1S/C15H18N2O3/c1-11-3-4-13(19-2)12(9-11)14(18)17-15(10-16)5-7-20-8-6-15/h3-4,9H,5-8H2,1-2H3,(H,17,18)
InChIKeyOCUPXTHUKBDTBE-UHFFFAOYSA-N
XLogP1.81
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-cyanooxan-4-yl)-2-methoxy-5-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanooxan-4-yl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(4-cyanooxan-4-yl)-2-methoxy-5-methylbenzamide (CID 75433443) is N-(4-cyanooxan-4-yl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(4-cyanooxan-4-yl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(4-cyanooxan-4-yl)-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)NC1(C#N)CCOCC1.
What is the InChIKey of N-(4-cyanooxan-4-yl)-2-methoxy-5-methylbenzamide?
The InChIKey is OCUPXTHUKBDTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-3-4-13(19-2)12(9-11)14(18)17-15(10-16)5-7-20-8-6-15/h3-4,9H,5-8H2,1-2H3,(H,17,18).
What are the key properties of N-(4-cyanooxan-4-yl)-2-methoxy-5-methylbenzamide?
N-(4-cyanooxan-4-yl)-2-methoxy-5-methylbenzamide has a molecular weight of 274.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanooxan-4-yl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 75433443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).