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

C20H23N3O4 — CID 109053241

IUPACmethyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCCN(C)C)c2)c1
InChIInChI=1S/C20H23N3O4/c1-23(2)11-10-21-18(24)14-6-4-7-15(12-14)19(25)22-17-9-5-8-16(13-17)20(26)27-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyDDJGJCKMWJPWMZ-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.02
Rot. Bonds7

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

methyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate (PubChem CID 109053241) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
PubChem CID109053241
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Namemethyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCCN(C)C)c2)c1
InChIInChI=1S/C20H23N3O4/c1-23(2)11-10-21-18(24)14-6-4-7-15(12-14)19(25)22-17-9-5-8-16(13-17)20(26)27-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyDDJGJCKMWJPWMZ-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-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109045824
methyl 3-[[5-[2-(dimethylamino)ethylcarbamoyl]pyridine-3-carbonyl]amino]benzoate
CID 109104143
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-[[2-[2-(dimethylamino)ethylamino]pyridine-4-carbonyl]amino]benzoate
CID 109167870
1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053234
methyl 3-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109252806
3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109053219
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
1-N-[2-(dimethylamino)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045806
ethyl 4-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109053255
1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109053413

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate?
The IUPAC name of methyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate (CID 109053241) is methyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2cccc(C(=O)NCCN(C)C)c2)c1.
What is the InChIKey of methyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate?
The InChIKey is DDJGJCKMWJPWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-23(2)11-10-21-18(24)14-6-4-7-15(12-14)19(25)22-17-9-5-8-16(13-17)20(26)27-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of methyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate?
methyl 3-[[3-[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-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate is sourced from PubChem (CID 109053241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).