2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid

C14H20N2O3 — CID 79798274

IUPAC2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid
SMILESCCc1ccc(NC(=O)NC(C)(CC)C(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-4-10-6-8-11(9-7-10)15-13(19)16-14(3,5-2)12(17)18/h6-9H,4-5H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyCLXHMISOSXIQCL-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.62
Rot. Bonds5

About 2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid

2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid (PubChem CID 79798274) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid
PubChem CID79798274
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid
SMILESCCc1ccc(NC(=O)NC(C)(CC)C(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-4-10-6-8-11(9-7-10)15-13(19)16-14(3,5-2)12(17)18/h6-9H,4-5H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyCLXHMISOSXIQCL-UHFFFAOYSA-N
XLogP2.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)carbamoylamino]-2-methylbutanoic acid
CID 79798189
2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 79791702
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 79801294
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
2-methyl-2-[(3-methylphenyl)carbamoylamino]butanoic acid
CID 79792256
2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61190716
2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid
CID 79801788
2-[[4-(cyanomethyl)phenyl]carbamoylamino]-2-methylpentanoic acid
CID 62301210
2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid
CID 43619154
1-(4-ethylphenyl)-3-methylurea
CID 54250791
2-methyl-2-[(4-propylphenyl)carbamoylamino]propanoic acid
CID 61265165

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid (CID 79798274) is 2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid is CCc1ccc(NC(=O)NC(C)(CC)C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid?
The InChIKey is CLXHMISOSXIQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-10-6-8-11(9-7-10)15-13(19)16-14(3,5-2)12(17)18/h6-9H,4-5H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid?
2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 79798274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).