3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid

C15H20N2O4 — CID 64893700

IUPAC3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NC1(C(=O)O)CCOC1)c1ccc(C)cc1
InChIInChI=1S/C15H20N2O4/c1-3-17(12-6-4-11(2)5-7-12)14(20)16-15(13(18)19)8-9-21-10-15/h4-7H,3,8-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLKCSJQOISJFIHF-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.77
Rot. Bonds4

About 3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid

3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 64893700) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID64893700
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NC1(C(=O)O)CCOC1)c1ccc(C)cc1
InChIInChI=1S/C15H20N2O4/c1-3-17(12-6-4-11(2)5-7-12)14(20)16-15(13(18)19)8-9-21-10-15/h4-7H,3,8-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLKCSJQOISJFIHF-UHFFFAOYSA-N
XLogP1.77
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid
CID 64888452
3-[[2-(4-methylphenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
CID 64890387
3-[[4-(dimethylamino)benzoyl]amino]oxolane-3-carboxylic acid
CID 64890394
3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889091
3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892861
3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892660
3-[(N-ethyl-4-methylanilino)methyl]oxolane-3-carboxylic acid
CID 62272520
3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64894088
3-[[butyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889094
3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid
CID 120532707
3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688786
3-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid
CID 64891774

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 64893700) is 3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid is CCN(C(=O)NC1(C(=O)O)CCOC1)c1ccc(C)cc1.
What is the InChIKey of 3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is LKCSJQOISJFIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-17(12-6-4-11(2)5-7-12)14(20)16-15(13(18)19)8-9-21-10-15/h4-7H,3,8-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid?
3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-(4-methylphenyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64893700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).