3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid

C15H19NO4 — CID 65156897

IUPAC3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid
SMILESCc1cc(C)c(NC(=O)CC2CCCO2)c(C(=O)O)c1
InChIInChI=1S/C15H19NO4/c1-9-6-10(2)14(12(7-9)15(18)19)16-13(17)8-11-4-3-5-20-11/h6-7,11H,3-5,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyPALWOOZMZIKGQY-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.51
Rot. Bonds4

About 3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid

3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid (PubChem CID 65156897) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid
PubChem CID65156897
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid
SMILESCc1cc(C)c(NC(=O)CC2CCCO2)c(C(=O)O)c1
InChIInChI=1S/C15H19NO4/c1-9-6-10(2)14(12(7-9)15(18)19)16-13(17)8-11-4-3-5-20-11/h6-7,11H,3-5,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyPALWOOZMZIKGQY-UHFFFAOYSA-N
XLogP2.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 110419575
N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209277
3-bromo-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid
CID 65156898
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
3,5-dimethyl-2-(oxane-3-carbonylamino)benzoic acid
CID 63112148
N-(2-chloro-4,6-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016092
N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 2291222
2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid
CID 65157572
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
N-(2,6-dipyrrolidin-1-ylphenyl)-2-(oxolan-2-yl)acetamide
CID 56786552
N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 95620224
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid?
The IUPAC name of 3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid (CID 65156897) is 3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid is Cc1cc(C)c(NC(=O)CC2CCCO2)c(C(=O)O)c1.
What is the InChIKey of 3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid?
The InChIKey is PALWOOZMZIKGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9-6-10(2)14(12(7-9)15(18)19)16-13(17)8-11-4-3-5-20-11/h6-7,11H,3-5,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid?
3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 65156897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).