methyl 4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]-3-methoxybenzoate

C20H23NO5 — CID 118880305

IUPACmethyl 4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(CC(C)C)ccc2O)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-12(2)9-13-5-8-17(22)15(10-13)19(23)21-16-7-6-14(20(24)26-4)11-18(16)25-3/h5-8,10-12,22H,9H2,1-4H3,(H,21,23)
InChIKeyUBDDASXQSPAWFT-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.64
Rot. Bonds6

About methyl 4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]-3-methoxybenzoate

methyl 4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]-3-methoxybenzoate (PubChem CID 118880305) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]-3-methoxybenzoate
PubChem CID118880305
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namemethyl 4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(CC(C)C)ccc2O)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-12(2)9-13-5-8-17(22)15(10-13)19(23)21-16-7-6-14(20(24)26-4)11-18(16)25-3/h5-8,10-12,22H,9H2,1-4H3,(H,21,23)
InChIKeyUBDDASXQSPAWFT-UHFFFAOYSA-N
XLogP3.64
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]-3-methoxybenzoate with MolForge

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Related Compounds

N-(4-acetyl-2-chlorophenyl)-2-hydroxy-5-(2-methylpropyl)benzamide;methane;methyl 3-chloro-4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]benzoate
CID 159526640
methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate
CID 108767153
methyl 3-hydroxy-4-(2-methylpropyl)benzoate
CID 143575429
methyl 4-[(2-chloroacetyl)amino]-3-methoxybenzoate
CID 83318590
N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(2-methylpropyl)benzamide
CID 54045194
methyl 4-[[4-[[4-[[4-amino-3-(2-methylpropoxy)benzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-(2-methylpropoxy)benzoyl]amino]-3-(2-methylpropoxy)benzoate
CID 71747586
methyl 4-[[2-hydroxy-4-[(4-methylbenzoyl)amino]-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoate
CID 121356673
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate
CID 108767103
N-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide
CID 104847667
methyl 4-(2,1,3-benzothiadiazole-5-carbonylamino)-3-methoxybenzoate
CID 122150755
(3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 14297404

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]-3-methoxybenzoate?
The IUPAC name of methyl 4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]-3-methoxybenzoate (CID 118880305) is methyl 4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]-3-methoxybenzoate?
The canonical SMILES for methyl 4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]-3-methoxybenzoate is COC(=O)c1ccc(NC(=O)c2cc(CC(C)C)ccc2O)c(OC)c1.
What is the InChIKey of methyl 4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]-3-methoxybenzoate?
The InChIKey is UBDDASXQSPAWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-12(2)9-13-5-8-17(22)15(10-13)19(23)21-16-7-6-14(20(24)26-4)11-18(16)25-3/h5-8,10-12,22H,9H2,1-4H3,(H,21,23).
What are the key properties of methyl 4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]-3-methoxybenzoate?
methyl 4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]-3-methoxybenzoate has a molecular weight of 357.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]-3-methoxybenzoate is sourced from PubChem (CID 118880305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).