methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate

C20H23N3O4 — CID 109045824

IUPACmethyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(C(=O)NCCN(C)C)cc2)c1
InChIInChI=1S/C20H23N3O4/c1-23(2)12-11-21-18(24)14-7-9-15(10-8-14)19(25)22-17-6-4-5-16(13-17)20(26)27-3/h4-10,13H,11-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyFCQFOZSUJLKYQX-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.02
Rot. Bonds7

About methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate

methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate (PubChem CID 109045824) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
PubChem CID109045824
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Namemethyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(C(=O)NCCN(C)C)cc2)c1
InChIInChI=1S/C20H23N3O4/c1-23(2)12-11-21-18(24)14-7-9-15(10-8-14)19(25)22-17-6-4-5-16(13-17)20(26)27-3/h4-10,13H,11-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyFCQFOZSUJLKYQX-UHFFFAOYSA-N
XLogP2.02
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109053241
methyl 3-[[5-[2-(dimethylamino)ethylcarbamoyl]pyridine-3-carbonyl]amino]benzoate
CID 109104143
1-N-[2-(dimethylamino)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045806
3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109053236
methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052619
methyl 3-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109252806
methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17230817
methyl 3-[[2-[2-(dimethylamino)ethylamino]pyridine-4-carbonyl]amino]benzoate
CID 109167870
methyl 4-[[4-[3-(dimethylamino)propylcarbamoyl]benzoyl]amino]benzoate
CID 109046051
ethyl 4-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109053255
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 2676546

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate?
The IUPAC name of methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate (CID 109045824) is methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(C(=O)NCCN(C)C)cc2)c1.
What is the InChIKey of methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate?
The InChIKey is FCQFOZSUJLKYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-23(2)12-11-21-18(24)14-7-9-15(10-8-14)19(25)22-17-6-4-5-16(13-17)20(26)27-3/h4-10,13H,11-12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate?
methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate has a molecular weight of 369.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate is sourced from PubChem (CID 109045824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).