[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate

C17H24N2O5 — CID 7815214

IUPAC[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
SMILESCC[C@H](C)NC(=O)NC(=O)COC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C17H24N2O5/c1-5-13(4)18-17(22)19-15(20)9-24-16(21)10-23-14-7-6-11(2)8-12(14)3/h6-8,13H,5,9-10H2,1-4H3,(H2,18,19,20,22)/t13-/m0/s1
InChIKeyPUPREMNXGRBMAL-ZDUSSCGKSA-N
MW336.39 g/mol
LogP1.85
Rot. Bonds7

About [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate (PubChem CID 7815214) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
PubChem CID7815214
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
SMILESCC[C@H](C)NC(=O)NC(=O)COC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C17H24N2O5/c1-5-13(4)18-17(22)19-15(20)9-24-16(21)10-23-14-7-6-11(2)8-12(14)3/h6-8,13H,5,9-10H2,1-4H3,(H2,18,19,20,22)/t13-/m0/s1
InChIKeyPUPREMNXGRBMAL-ZDUSSCGKSA-N
XLogP1.85
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate 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-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924668
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982140
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923873
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525806
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 8909817
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814195
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 9336333
N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide
CID 7817259
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329396
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 7789096
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771951
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814007

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
The IUPAC name of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate (CID 7815214) is [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate.
What is the SMILES notation for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
The canonical SMILES for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate is CC[C@H](C)NC(=O)NC(=O)COC(=O)COc1ccc(C)cc1C.
What is the InChIKey of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
The InChIKey is PUPREMNXGRBMAL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-5-13(4)18-17(22)19-15(20)9-24-16(21)10-23-14-7-6-11(2)8-12(14)3/h6-8,13H,5,9-10H2,1-4H3,(H2,18,19,20,22)/t13-/m0/s1.
What are the key properties of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate has a molecular weight of 336.39 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate is sourced from PubChem (CID 7815214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).