methyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate

C26H25N3O4 — CID 50814326

IUPACmethyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C26H25N3O4/c1-33-25(31)22-13-5-6-14-23(22)27-24(30)20-11-7-12-21(17-20)29-16-8-15-28(26(29)32)18-19-9-3-2-4-10-19/h2-7,9-14,17H,8,15-16,18H2,1H3,(H,27,30)
InChIKeyIQPPYBWLOHEFOO-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.56
Rot. Bonds6

About methyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate

methyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate (PubChem CID 50814326) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is methyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate
PubChem CID50814326
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Namemethyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C26H25N3O4/c1-33-25(31)22-13-5-6-14-23(22)27-24(30)20-11-7-12-21(17-20)29-16-8-15-28(26(29)32)18-19-9-3-2-4-10-19/h2-7,9-14,17H,8,15-16,18H2,1H3,(H,27,30)
InChIKeyIQPPYBWLOHEFOO-UHFFFAOYSA-N
XLogP4.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate with MolForge

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Related Compounds

N-(2-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50814175
N-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-methoxybenzamide
CID 42849025
N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-4-methoxybenzamide
CID 42869693
3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-propan-2-ylbenzamide
CID 50813895
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide
CID 50754372
N-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46156673
3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 50814389
N-(3-chlorophenyl)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50814161
N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50814193
methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate
CID 18134729
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide
CID 50754409
N-[3-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide
CID 46070051

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate (CID 50814326) is methyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1.
What is the InChIKey of methyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate?
The InChIKey is IQPPYBWLOHEFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-33-25(31)22-13-5-6-14-23(22)27-24(30)20-11-7-12-21(17-20)29-16-8-15-28(26(29)32)18-19-9-3-2-4-10-19/h2-7,9-14,17H,8,15-16,18H2,1H3,(H,27,30).
What are the key properties of methyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate?
methyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate has a molecular weight of 443.50 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzoyl]amino]benzoate is sourced from PubChem (CID 50814326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).