N-(2,3-dimethylphenyl)-4-(morpholin-4-ylmethyl)benzamide

C20H24N2O2 — CID 674230

IUPACN-(2,3-dimethylphenyl)-4-(morpholin-4-ylmethyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1C
InChIInChI=1S/C20H24N2O2/c1-15-4-3-5-19(16(15)2)21-20(23)18-8-6-17(7-9-18)14-22-10-12-24-13-11-22/h3-9H,10-14H2,1-2H3,(H,21,23)
InChIKeyKGSBLIHTTHFISA-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.39
Rot. Bonds4

About N-(2,3-dimethylphenyl)-4-(morpholin-4-ylmethyl)benzamide

N-(2,3-dimethylphenyl)-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 674230) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(morpholin-4-ylmethyl)benzamide
PubChem CID674230
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(2,3-dimethylphenyl)-4-(morpholin-4-ylmethyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1C
InChIInChI=1S/C20H24N2O2/c1-15-4-3-5-19(16(15)2)21-20(23)18-8-6-17(7-9-18)14-22-10-12-24-13-11-22/h3-9H,10-14H2,1-2H3,(H,21,23)
InChIKeyKGSBLIHTTHFISA-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(morpholin-4-ylmethyl)benzamide (CID 674230) is N-(2,3-dimethylphenyl)-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(morpholin-4-ylmethyl)benzamide is Cc1cccc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is KGSBLIHTTHFISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-4-3-5-19(16(15)2)21-20(23)18-8-6-17(7-9-18)14-22-10-12-24-13-11-22/h3-9H,10-14H2,1-2H3,(H,21,23).
What are the key properties of N-(2,3-dimethylphenyl)-4-(morpholin-4-ylmethyl)benzamide?
N-(2,3-dimethylphenyl)-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 674230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).