2-hydroxy-3-methyl-5-[(3-propoxybenzoyl)amino]benzoic acid

C18H19NO5 — CID 28672195

IUPAC2-hydroxy-3-methyl-5-[(3-propoxybenzoyl)amino]benzoic acid
SMILESCCCOc1cccc(C(=O)Nc2cc(C)c(O)c(C(=O)O)c2)c1
InChIInChI=1S/C18H19NO5/c1-3-7-24-14-6-4-5-12(9-14)17(21)19-13-8-11(2)16(20)15(10-13)18(22)23/h4-6,8-10,20H,3,7H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyPYAKLXXQGTVKSJ-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.44
Rot. Bonds6

About 2-hydroxy-3-methyl-5-[(3-propoxybenzoyl)amino]benzoic acid

2-hydroxy-3-methyl-5-[(3-propoxybenzoyl)amino]benzoic acid (PubChem CID 28672195) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-5-[(3-propoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-methyl-5-[(3-propoxybenzoyl)amino]benzoic acid
PubChem CID28672195
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-hydroxy-3-methyl-5-[(3-propoxybenzoyl)amino]benzoic acid
SMILESCCCOc1cccc(C(=O)Nc2cc(C)c(O)c(C(=O)O)c2)c1
InChIInChI=1S/C18H19NO5/c1-3-7-24-14-6-4-5-12(9-14)17(21)19-13-8-11(2)16(20)15(10-13)18(22)23/h4-6,8-10,20H,3,7H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyPYAKLXXQGTVKSJ-UHFFFAOYSA-N
XLogP3.44
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-methyl-5-[[3-(2-methylpropoxy)benzoyl]amino]benzoic acid
CID 28673126
2-hydroxy-5-[(3-propoxybenzoyl)amino]benzoic acid
CID 28672191
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N-(3-bromo-4-methylphenyl)-3-propoxybenzamide
CID 63529162
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
methyl 4-[(3-propoxybenzoyl)amino]benzoate
CID 2293242
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
N-(4-methyl-3-sulfamoylphenyl)-3-propoxybenzamide
CID 87002439
N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-5-[(3-propoxybenzoyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-3-methyl-5-[(3-propoxybenzoyl)amino]benzoic acid (CID 28672195) is 2-hydroxy-3-methyl-5-[(3-propoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-methyl-5-[(3-propoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-3-methyl-5-[(3-propoxybenzoyl)amino]benzoic acid is CCCOc1cccc(C(=O)Nc2cc(C)c(O)c(C(=O)O)c2)c1.
What is the InChIKey of 2-hydroxy-3-methyl-5-[(3-propoxybenzoyl)amino]benzoic acid?
The InChIKey is PYAKLXXQGTVKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-3-7-24-14-6-4-5-12(9-14)17(21)19-13-8-11(2)16(20)15(10-13)18(22)23/h4-6,8-10,20H,3,7H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 2-hydroxy-3-methyl-5-[(3-propoxybenzoyl)amino]benzoic acid?
2-hydroxy-3-methyl-5-[(3-propoxybenzoyl)amino]benzoic acid has a molecular weight of 329.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-5-[(3-propoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 28672195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).