dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate

C22H24N2O6 — CID 9045335

IUPACdimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc(C(=O)OC)c1
InChIInChI=1S/C22H24N2O6/c1-28-21(26)17-11-18(22(27)29-2)13-19(12-17)23-20(25)16-5-3-15(4-6-16)14-24-7-9-30-10-8-24/h3-6,11-13H,7-10,14H2,1-2H3,(H,23,25)
InChIKeyXGPPDICWHWOMAT-UHFFFAOYSA-N
MW412.44 g/mol
LogP2.34
Rot. Bonds6

About dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate (PubChem CID 9045335) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate
PubChem CID9045335
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Namedimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc(C(=O)OC)c1
InChIInChI=1S/C22H24N2O6/c1-28-21(26)17-11-18(22(27)29-2)13-19(12-17)23-20(25)16-5-3-15(4-6-16)14-24-7-9-30-10-8-24/h3-6,11-13H,7-10,14H2,1-2H3,(H,23,25)
InChIKeyXGPPDICWHWOMAT-UHFFFAOYSA-N
XLogP2.34
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 5-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzene-1,3-dicarboxylate
CID 92676048
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 141217445
4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
CID 166858230
N-(3-fluorophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 674229
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2940925
methyl 3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]benzoate
CID 108743743

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate (CID 9045335) is dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is XGPPDICWHWOMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-28-21(26)17-11-18(22(27)29-2)13-19(12-17)23-20(25)16-5-3-15(4-6-16)14-24-7-9-30-10-8-24/h3-6,11-13H,7-10,14H2,1-2H3,(H,23,25).
What are the key properties of dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 412.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 9045335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).