4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid

C15H20N2O4 — CID 65300227

IUPAC4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCN(C(=O)NC(=O)CC(C)(C)C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-4-17(11-8-6-5-7-9-11)14(21)16-12(18)10-15(2,3)13(19)20/h5-9H,4,10H2,1-3H3,(H,19,20)(H,16,18,21)
InChIKeyORIZDWGVZHNHKY-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.25
Rot. Bonds5

About 4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid

4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65300227) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65300227
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCN(C(=O)NC(=O)CC(C)(C)C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-4-17(11-8-6-5-7-9-11)14(21)16-12(18)10-15(2,3)13(19)20/h5-9H,4,10H2,1-3H3,(H,19,20)(H,16,18,21)
InChIKeyORIZDWGVZHNHKY-UHFFFAOYSA-N
XLogP2.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide
CID 43146327
3-[[ethyl(phenyl)carbamoyl]amino]-3-methylbutanoic acid
CID 64700830
2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid
CID 65301302
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
CID 108884791
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid
CID 61191471
N-ethyl-5,5-dimethyl-3-oxo-N-phenylhexanamide
CID 58474619
2-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263468
2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62820744
3-(2-chloroethyl)-1-ethyl-1-phenylurea
CID 71675641
2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 65300331

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65300227) is 4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid is CCN(C(=O)NC(=O)CC(C)(C)C(=O)O)c1ccccc1.
What is the InChIKey of 4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is ORIZDWGVZHNHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-17(11-8-6-5-7-9-11)14(21)16-12(18)10-15(2,3)13(19)20/h5-9H,4,10H2,1-3H3,(H,19,20)(H,16,18,21).
What are the key properties of 4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65300227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).