4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid

C22H27NO8 — CID 16774874

IUPAC4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
SMILESCCOc1cc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)O)cc(OCC)c1OCC
InChIInChI=1S/C22H27NO8/c1-6-29-18-9-13(10-19(30-7-2)20(18)31-8-3)21(24)23-15-12-17(28-5)16(27-4)11-14(15)22(25)26/h9-12H,6-8H2,1-5H3,(H,23,24)(H,25,26)
InChIKeyUNNWVDQAHAZAEE-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.85
Rot. Bonds11

About 4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid

4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid (PubChem CID 16774874) has the molecular formula C22H27NO8 and a molecular weight of 433.46 g/mol. Its IUPAC name is 4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
PubChem CID16774874
Molecular FormulaC22H27NO8
Molecular Weight433.46 g/mol
Exact Mass433.17
IUPAC Name4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
SMILESCCOc1cc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)O)cc(OCC)c1OCC
InChIInChI=1S/C22H27NO8/c1-6-29-18-9-13(10-19(30-7-2)20(18)31-8-3)21(24)23-15-12-17(28-5)16(27-4)11-14(15)22(25)26/h9-12H,6-8H2,1-5H3,(H,23,24)(H,25,26)
InChIKeyUNNWVDQAHAZAEE-UHFFFAOYSA-N
XLogP3.85
TPSA112.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
CID 45429945
N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide
CID 16774665
N-(3,5-dimethoxyphenyl)-3,4,5-triethoxybenzamide
CID 2182234
2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid
CID 8005134
2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16776960
4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid
CID 16771039
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
2-benzamido-4-hydroxy-5-methoxybenzoic acid
CID 71325252
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16777026
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
3,4,5-triethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478549

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid?
The IUPAC name of 4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid (CID 16774874) is 4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid is CCOc1cc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)O)cc(OCC)c1OCC.
What is the InChIKey of 4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid?
The InChIKey is UNNWVDQAHAZAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO8/c1-6-29-18-9-13(10-19(30-7-2)20(18)31-8-3)21(24)23-15-12-17(28-5)16(27-4)11-14(15)22(25)26/h9-12H,6-8H2,1-5H3,(H,23,24)(H,25,26).
What are the key properties of 4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid?
4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid has a molecular weight of 433.46 g/mol, XLogP of 3.85, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 16774874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).