ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate

C18H19NO4 — CID 51200273

IUPACethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(COC)c2)cc1
InChIInChI=1S/C18H19NO4/c1-3-23-18(21)14-7-9-16(10-8-14)19-17(20)15-6-4-5-13(11-15)12-22-2/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyGNPVOHOCMILXBB-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.26
Rot. Bonds6

About ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate

ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate (PubChem CID 51200273) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate
PubChem CID51200273
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(COC)c2)cc1
InChIInChI=1S/C18H19NO4/c1-3-23-18(21)14-7-9-16(10-8-14)19-17(20)15-6-4-5-13(11-15)12-22-2/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyGNPVOHOCMILXBB-UHFFFAOYSA-N
XLogP3.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052641
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(methoxymethyl)benzamide
CID 30900594
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17471157
ethyl 5-ethyl-2-[[3-(methoxymethyl)benzoyl]amino]thiophene-3-carboxylate
CID 33146285
ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate
CID 28748768
N-(3-iodophenyl)-3-(methoxymethyl)benzamide
CID 7603133
4-hydrazinyl-N-[3-(methoxymethyl)phenyl]benzamide
CID 62247351
N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
CID 17462584
ethyl 4-[[3-(1,2,4-triazol-4-yl)benzoyl]amino]benzoate
CID 6460869
ethyl 4-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109053255
ethyl 4-[[3-(3-methylbutylcarbamoyl)benzoyl]amino]benzoate
CID 109056240

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate (CID 51200273) is ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cccc(COC)c2)cc1.
What is the InChIKey of ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate?
The InChIKey is GNPVOHOCMILXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-23-18(21)14-7-9-16(10-8-14)19-17(20)15-6-4-5-13(11-15)12-22-2/h4-11H,3,12H2,1-2H3,(H,19,20).
What are the key properties of ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate?
ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate has a molecular weight of 313.35 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 51200273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).