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

C20H24N2O2 — CID 46769268

IUPACN-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1C
InChIInChI=1S/C20H24N2O2/c1-15-6-7-19(12-16(15)2)21-20(23)18-5-3-4-17(13-18)14-22-8-10-24-11-9-22/h3-7,12-13H,8-11,14H2,1-2H3,(H,21,23)
InChIKeyAGZOTECAOVCHNY-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.39
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide (PubChem CID 46769268) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
PubChem CID46769268
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1C
InChIInChI=1S/C20H24N2O2/c1-15-6-7-19(12-16(15)2)21-20(23)18-5-3-4-17(13-18)14-22-8-10-24-11-9-22/h3-7,12-13H,8-11,14H2,1-2H3,(H,21,23)
InChIKeyAGZOTECAOVCHNY-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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Related Compounds

3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)benzamide
CID 43919286
ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 28565288
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 92683706
methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 30396966
butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 46764701
N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 141217445
4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-N-(3-morpholin-4-ylphenyl)benzamide
CID 22636122
3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide
CID 119890407
3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 28631315
N-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 38016726
N-(4-methyl-3-nitrophenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560572
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide (CID 46769268) is N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide is Cc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide?
The InChIKey is AGZOTECAOVCHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-6-7-19(12-16(15)2)21-20(23)18-5-3-4-17(13-18)14-22-8-10-24-11-9-22/h3-7,12-13H,8-11,14H2,1-2H3,(H,21,23).
What are the key properties of N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide?
N-(3,4-dimethylphenyl)-3-(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-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 46769268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).