4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid

C15H20N2O4 — CID 115292812

IUPAC4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid
SMILESCc1cccc(C)c1NC(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C15H20N2O4/c1-10-4-3-5-11(2)12(10)16-14(20)17-15(13(18)19)6-8-21-9-7-15/h3-5H,6-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyUNXILZKIIWAJLZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.06
Rot. Bonds3

About 4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid

4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid (PubChem CID 115292812) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid
PubChem CID115292812
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid
SMILESCc1cccc(C)c1NC(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C15H20N2O4/c1-10-4-3-5-11(2)12(10)16-14(20)17-15(13(18)19)6-8-21-9-7-15/h3-5H,6-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyUNXILZKIIWAJLZ-UHFFFAOYSA-N
XLogP2.06
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 115291380
4-[(5-bromo-2-methylphenyl)carbamoylamino]oxane-4-carboxylic acid
CID 115292904
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 115293169
1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469284
4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115293105
4-[(3-bromo-5-methylphenyl)carbamoylamino]oxane-4-carboxylic acid
CID 107576523
4-[(3-hydroxy-2-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 82826795
4-[3-(2-methylphenyl)propanoylamino]oxane-4-carboxylic acid
CID 115291472
3-[(4-bromo-3-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 64889078
3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688786
4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
CID 115292996
4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292784

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid (CID 115292812) is 4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid is Cc1cccc(C)c1NC(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid?
The InChIKey is UNXILZKIIWAJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-4-3-5-11(2)12(10)16-14(20)17-15(13(18)19)6-8-21-9-7-15/h3-5H,6-9H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid?
4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid is sourced from PubChem (CID 115292812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).