2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid

C22H27NO5 — CID 4797555

IUPAC2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)c2ccc(C(C)C)cc2C(C)C)c(C(=O)O)cc1OC
InChIInChI=1S/C22H27NO5/c1-12(2)14-7-8-15(16(9-14)13(3)4)21(24)23-18-11-20(28-6)19(27-5)10-17(18)22(25)26/h7-13H,1-6H3,(H,23,24)(H,25,26)
InChIKeyBSNOJCUBDHBJFY-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.90
Rot. Bonds7

About 2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid

2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid (PubChem CID 4797555) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid
PubChem CID4797555
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)c2ccc(C(C)C)cc2C(C)C)c(C(=O)O)cc1OC
InChIInChI=1S/C22H27NO5/c1-12(2)14-7-8-15(16(9-14)13(3)4)21(24)23-18-11-20(28-6)19(27-5)10-17(18)22(25)26/h7-13H,1-6H3,(H,23,24)(H,25,26)
InChIKeyBSNOJCUBDHBJFY-UHFFFAOYSA-N
XLogP4.90
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 17341130
N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide
CID 9404018
2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 707198
4,5-dimethoxy-2-(propan-2-ylcarbamoylamino)benzoic acid
CID 28737773
N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide
CID 119625597
3-[(2-methoxy-5-propan-2-ylbenzoyl)amino]benzoic acid
CID 84613778
2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid
CID 10276187
2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16776960
4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 115369160
4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid
CID 16771039
2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid
CID 8005134
2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16777026

Frequently Asked Questions

What is the IUPAC name of 2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid (CID 4797555) is 2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid is COc1cc(NC(=O)c2ccc(C(C)C)cc2C(C)C)c(C(=O)O)cc1OC.
What is the InChIKey of 2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid?
The InChIKey is BSNOJCUBDHBJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-12(2)14-7-8-15(16(9-14)13(3)4)21(24)23-18-11-20(28-6)19(27-5)10-17(18)22(25)26/h7-13H,1-6H3,(H,23,24)(H,25,26).
What are the key properties of 2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid?
2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid has a molecular weight of 385.46 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 4797555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).