methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate

C21H24N2O4 — CID 30396966

IUPACmethyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cccc(CN3CCOCC3)c2)c1
InChIInChI=1S/C21H24N2O4/c1-15-6-7-18(21(25)26-2)13-19(15)22-20(24)17-5-3-4-16(12-17)14-23-8-10-27-11-9-23/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,24)
InChIKeyPBPSEMYTLRYERC-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.87
Rot. Bonds5

About methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate

methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate (PubChem CID 30396966) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
PubChem CID30396966
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namemethyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cccc(CN3CCOCC3)c2)c1
InChIInChI=1S/C21H24N2O4/c1-15-6-7-18(21(25)26-2)13-19(15)22-20(24)17-5-3-4-16(12-17)14-23-8-10-27-11-9-23/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,24)
InChIKeyPBPSEMYTLRYERC-UHFFFAOYSA-N
XLogP2.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-3-[[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzoate
CID 43922648
3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide
CID 119890407
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268
4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-N-(3-morpholin-4-ylphenyl)benzamide
CID 22636122
N-(2,5-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 28572616
methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 7669541
methyl 2-[[3-(morpholin-4-ylmethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 92680114
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 92683706
3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 78876482
3-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 46778635

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate (CID 30396966) is methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate is COC(=O)c1ccc(C)c(NC(=O)c2cccc(CN3CCOCC3)c2)c1.
What is the InChIKey of methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate?
The InChIKey is PBPSEMYTLRYERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-6-7-18(21(25)26-2)13-19(15)22-20(24)17-5-3-4-16(12-17)14-23-8-10-27-11-9-23/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,24).
What are the key properties of methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate?
methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate has a molecular weight of 368.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 30396966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).