N-[2-(4-methoxyanilino)-2-oxoethyl]cyclohexanecarboxamide

C16H22N2O3 — CID 768654

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]cyclohexanecarboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-21-14-9-7-13(8-10-14)18-15(19)11-17-16(20)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,17,20)(H,18,19)
InChIKeyZJQGBXOJXCCMEK-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.33
Rot. Bonds5

About N-[2-(4-methoxyanilino)-2-oxoethyl]cyclohexanecarboxamide

N-[2-(4-methoxyanilino)-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 768654) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]cyclohexanecarboxamide
PubChem CID768654
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]cyclohexanecarboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-21-14-9-7-13(8-10-14)18-15(19)11-17-16(20)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,17,20)(H,18,19)
InChIKeyZJQGBXOJXCCMEK-UHFFFAOYSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-methoxyanilino)-2-oxoethyl]cyclohexanecarboxamide 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-[2-(4-methoxyanilino)-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]cyclohexanecarboxamide (CID 768654) is N-[2-(4-methoxyanilino)-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]cyclohexanecarboxamide is COc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is ZJQGBXOJXCCMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-14-9-7-13(8-10-14)18-15(19)11-17-16(20)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]cyclohexanecarboxamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 768654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).