3,5-dimethyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]benzoic acid

C16H24N2O3 — CID 63959930

IUPAC3,5-dimethyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]benzoic acid
SMILESCCC(C)(C)N(C)C(=O)Nc1c(C)cc(C)cc1C(=O)O
InChIInChI=1S/C16H24N2O3/c1-7-16(4,5)18(6)15(21)17-13-11(3)8-10(2)9-12(13)14(19)20/h8-9H,7H2,1-6H3,(H,17,21)(H,19,20)
InChIKeyBLUZNKJRFJUJLY-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.65
Rot. Bonds4

About 3,5-dimethyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]benzoic acid

3,5-dimethyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]benzoic acid (PubChem CID 63959930) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name3,5-dimethyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]benzoic acid
PubChem CID63959930
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3,5-dimethyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]benzoic acid
SMILESCCC(C)(C)N(C)C(=O)Nc1c(C)cc(C)cc1C(=O)O
InChIInChI=1S/C16H24N2O3/c1-7-16(4,5)18(6)15(21)17-13-11(3)8-10(2)9-12(13)14(19)20/h8-9H,7H2,1-6H3,(H,17,21)(H,19,20)
InChIKeyBLUZNKJRFJUJLY-UHFFFAOYSA-N
XLogP3.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylbutanoylamino)-3,5-dimethylbenzoic acid
CID 55176919
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,5-dimethylbenzoic acid
CID 63112409
2-[bis(prop-2-enyl)carbamoylamino]-3,5-dimethylbenzoic acid
CID 63112570
3,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 2757215
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-3,5-dimethylbenzoic acid
CID 63112474
2-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzoic acid
CID 55176727
3,5-dimethyl-2-(pentan-3-ylcarbamoylamino)benzoic acid
CID 63112633
2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,5-dimethylbenzoic acid
CID 63112385
2-[(2-methoxy-2-methylpropyl)carbamoylamino]-3,5-dimethylbenzoic acid
CID 104763954
3,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]benzoic acid
CID 66475891
3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 63112090
3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid
CID 63112624

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]benzoic acid?
The IUPAC name of 3,5-dimethyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]benzoic acid (CID 63959930) is 3,5-dimethyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 3,5-dimethyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 3,5-dimethyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]benzoic acid is CCC(C)(C)N(C)C(=O)Nc1c(C)cc(C)cc1C(=O)O.
What is the InChIKey of 3,5-dimethyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]benzoic acid?
The InChIKey is BLUZNKJRFJUJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-7-16(4,5)18(6)15(21)17-13-11(3)8-10(2)9-12(13)14(19)20/h8-9H,7H2,1-6H3,(H,17,21)(H,19,20).
What are the key properties of 3,5-dimethyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]benzoic acid?
3,5-dimethyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]benzoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 63959930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).