ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate

C19H21NO5 — CID 2988460

IUPACethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(OCC)c2)cc1
InChIInChI=1S/C19H21NO5/c1-4-24-17-12-14(8-11-16(17)23-3)18(21)20-15-9-6-13(7-10-15)19(22)25-5-2/h6-12H,4-5H2,1-3H3,(H,20,21)
InChIKeyLKCHNZQFVKUBII-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.52
Rot. Bonds7

About ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate

ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate (PubChem CID 2988460) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
PubChem CID2988460
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Nameethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(OCC)c2)cc1
InChIInChI=1S/C19H21NO5/c1-4-24-17-12-14(8-11-16(17)23-3)18(21)20-15-9-6-13(7-10-15)19(22)25-5-2/h6-12H,4-5H2,1-3H3,(H,20,21)
InChIKeyLKCHNZQFVKUBII-UHFFFAOYSA-N
XLogP3.52
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
CID 2677147
butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate
CID 100534622
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 51299958
ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
CID 26253075
ethyl 4-[[3-(3,4-dimethoxyanilino)-3-oxopropanoyl]amino]benzoate
CID 108956010
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate
CID 28748768
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558714
ethyl 4-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoate
CID 1339345

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate (CID 2988460) is ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(OCC)c2)cc1.
What is the InChIKey of ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate?
The InChIKey is LKCHNZQFVKUBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-4-24-17-12-14(8-11-16(17)23-3)18(21)20-15-9-6-13(7-10-15)19(22)25-5-2/h6-12H,4-5H2,1-3H3,(H,20,21).
What are the key properties of ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate?
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate has a molecular weight of 343.38 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 2988460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).