ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate

C19H21NO5 — CID 2677147

IUPACethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(OC)c(C)c(OC)c2)cc1
InChIInChI=1S/C19H21NO5/c1-5-25-19(22)13-6-8-15(9-7-13)20-18(21)14-10-16(23-3)12(2)17(11-14)24-4/h6-11H,5H2,1-4H3,(H,20,21)
InChIKeyKQKYRIGATIVJKJ-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.44
Rot. Bonds6

About ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate

ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate (PubChem CID 2677147) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
PubChem CID2677147
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Nameethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(OC)c(C)c(OC)c2)cc1
InChIInChI=1S/C19H21NO5/c1-5-25-19(22)13-6-8-15(9-7-13)20-18(21)14-10-16(23-3)12(2)17(11-14)24-4/h6-11H,5H2,1-4H3,(H,20,21)
InChIKeyKQKYRIGATIVJKJ-UHFFFAOYSA-N
XLogP3.44
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460
ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
CID 26253075
3,5-dimethoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 2092676
N-[4-(diethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 2665776
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate
CID 28748768
ethyl 4-[[3-(3,4-dimethoxyanilino)-3-oxopropanoyl]amino]benzoate
CID 108956010
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273
N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide
CID 8009162
ethyl 4-[(3,5-ditert-butyl-4-hydroxybenzoyl)amino]benzoate
CID 86605115
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate
CID 34768194
ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 4851180

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate (CID 2677147) is ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc(OC)c(C)c(OC)c2)cc1.
What is the InChIKey of ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate?
The InChIKey is KQKYRIGATIVJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-5-25-19(22)13-6-8-15(9-7-13)20-18(21)14-10-16(23-3)12(2)17(11-14)24-4/h6-11H,5H2,1-4H3,(H,20,21).
What are the key properties of ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate?
ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate has a molecular weight of 343.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 2677147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).