3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid

C17H23NO3 — CID 66475891

IUPAC3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid
SMILESCc1cc(C)c(NC(=O)C2C(C)(C)C2(C)C)c(C(=O)O)c1
InChIInChI=1S/C17H23NO3/c1-9-7-10(2)12(11(8-9)15(20)21)18-14(19)13-16(3,4)17(13,5)6/h7-8,13H,1-6H3,(H,18,19)(H,20,21)
InChIKeyAOVKJHLIUOVOGS-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.62
Rot. Bonds3

About 3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid

3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid (PubChem CID 66475891) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid
PubChem CID66475891
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid
SMILESCc1cc(C)c(NC(=O)C2C(C)(C)C2(C)C)c(C(=O)O)c1
InChIInChI=1S/C17H23NO3/c1-9-7-10(2)12(11(8-9)15(20)21)18-14(19)13-16(3,4)17(13,5)6/h7-8,13H,1-6H3,(H,18,19)(H,20,21)
InChIKeyAOVKJHLIUOVOGS-UHFFFAOYSA-N
XLogP3.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid
CID 107175446
2-(1,4-dioxane-2-carbonylamino)-3,5-dimethylbenzoic acid
CID 63112038
3,5-dimethyl-2-[(1-methylcyclopentyl)carbamoylamino]benzoic acid
CID 64687474
3,5-dimethyl-2-(oxane-3-carbonylamino)benzoic acid
CID 63112148
3,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 2757215
2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid
CID 63112144
2-(2,2-dimethylbutanoylamino)-3,5-dimethylbenzoic acid
CID 55176919
2-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzoic acid
CID 55176727
3,5-dimethyl-2-(pentan-3-ylcarbamoylamino)benzoic acid
CID 63112633
3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 63112090
3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid
CID 63112624
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethylbenzoic acid
CID 63112409

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid?
The IUPAC name of 3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid (CID 66475891) is 3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid.
What is the SMILES notation for 3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid?
The canonical SMILES for 3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid is Cc1cc(C)c(NC(=O)C2C(C)(C)C2(C)C)c(C(=O)O)c1.
What is the InChIKey of 3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid?
The InChIKey is AOVKJHLIUOVOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-9-7-10(2)12(11(8-9)15(20)21)18-14(19)13-16(3,4)17(13,5)6/h7-8,13H,1-6H3,(H,18,19)(H,20,21).
What are the key properties of 3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid?
3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid has a molecular weight of 289.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid is sourced from PubChem (CID 66475891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).