2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid

C16H24N2O3 — CID 62003824

IUPAC2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCCc1ccc(N(C)C(=O)NC(C(=O)O)C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-6-11-7-9-12(10-8-11)18(5)15(21)17-13(14(19)20)16(2,3)4/h7-10,13H,6H2,1-5H3,(H,17,21)(H,19,20)
InChIKeyBUGHTCUCTQCGDH-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.89
Rot. Bonds4

About 2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid

2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 62003824) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
PubChem CID62003824
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
SMILESCCc1ccc(N(C)C(=O)NC(C(=O)O)C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-6-11-7-9-12(10-8-11)18(5)15(21)17-13(14(19)20)16(2,3)4/h7-10,13H,6H2,1-5H3,(H,17,21)(H,19,20)
InChIKeyBUGHTCUCTQCGDH-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[[(4-ethylphenyl)-methylcarbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65221939
3-[[(4-ethylphenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175310
2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61190716
(2R)-2-[(4-ethylphenyl)methylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 106900425
(2S)-2-[3-(4-ethylphenyl)propanoylamino]-3,3-dimethylbutanoic acid
CID 61144373
2-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 107737147
3-amino-1-(4-ethylphenyl)-1-methylurea
CID 62003089
3,3-dimethyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 79488507
2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide
CID 114328563
(2S)-3,3-dimethyl-2-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61196070
3-(4-ethylphenyl)-1-methyl-1-phenylurea
CID 108991136
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 93054886

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid (CID 62003824) is 2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid is CCc1ccc(N(C)C(=O)NC(C(=O)O)C(C)(C)C)cc1.
What is the InChIKey of 2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is BUGHTCUCTQCGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-6-11-7-9-12(10-8-11)18(5)15(21)17-13(14(19)20)16(2,3)4/h7-10,13H,6H2,1-5H3,(H,17,21)(H,19,20).
What are the key properties of 2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid?
2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylphenyl)-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 62003824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).