ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate

C18H19NO5 — CID 5149682

IUPACethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C18H19NO5/c1-4-24-18(21)13-7-5-6-8-15(13)19-17(20)14-10-9-12(22-2)11-16(14)23-3/h5-11H,4H2,1-3H3,(H,19,20)
InChIKeyOCEBKJIZMWAWIF-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.13
Rot. Bonds6

About ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate

ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate (PubChem CID 5149682) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate
PubChem CID5149682
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Nameethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C18H19NO5/c1-4-24-18(21)13-7-5-6-8-15(13)19-17(20)14-10-9-12(22-2)11-16(14)23-3/h5-11H,4H2,1-3H3,(H,19,20)
InChIKeyOCEBKJIZMWAWIF-UHFFFAOYSA-N
XLogP3.13
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 2663411
ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 110428281
N-(2-iodophenyl)-2,4-dimethoxybenzamide
CID 3340182
N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide
CID 3662059
2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 69361719
2,4-dimethoxy-N-(2-phenylphenyl)benzamide
CID 26727528
ethyl 2-[[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]amino]benzoate
CID 35270938
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953621
N-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide
CID 55769477
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
2,4-dimethoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 793888
2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid
CID 11990538

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate?
The IUPAC name of ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate (CID 5149682) is ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate?
The InChIKey is OCEBKJIZMWAWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-4-24-18(21)13-7-5-6-8-15(13)19-17(20)14-10-9-12(22-2)11-16(14)23-3/h5-11H,4H2,1-3H3,(H,19,20).
What are the key properties of ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate?
ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate has a molecular weight of 329.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 5149682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).