[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate

C22H25NO6 — CID 9199889

IUPAC[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate
SMILESCC[C@H](C)[C@@H](NC(=O)COC(=O)c1ccccc1Oc1ccccc1)C(=O)OC
InChIInChI=1S/C22H25NO6/c1-4-15(2)20(22(26)27-3)23-19(24)14-28-21(25)17-12-8-9-13-18(17)29-16-10-6-5-7-11-16/h5-13,15,20H,4,14H2,1-3H3,(H,23,24)/t15-,20+/m0/s1
InChIKeyVMRSMFAVSWPUEX-MGPUTAFESA-N
MW399.44 g/mol
LogP3.34
Rot. Bonds9

About [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate

[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate (PubChem CID 9199889) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate
PubChem CID9199889
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate
SMILESCC[C@H](C)[C@@H](NC(=O)COC(=O)c1ccccc1Oc1ccccc1)C(=O)OC
InChIInChI=1S/C22H25NO6/c1-4-15(2)20(22(26)27-3)23-19(24)14-28-21(25)17-12-8-9-13-18(17)29-16-10-6-5-7-11-16/h5-13,15,20H,4,14H2,1-3H3,(H,23,24)/t15-,20+/m0/s1
InChIKeyVMRSMFAVSWPUEX-MGPUTAFESA-N
XLogP3.34
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate 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-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate
CID 2498353
[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-(methylamino)benzoate
CID 9289420
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 9203537
[2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate
CID 2498337
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 18201102
[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-phenoxybenzoate
CID 7760656
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 18201939
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate
CID 7760857
[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 9343862
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate
CID 18092590
[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-methylbenzoate
CID 9018193
[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-propoxybenzoate
CID 8842588

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate?
The IUPAC name of [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate (CID 9199889) is [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate.
What is the SMILES notation for [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate?
The canonical SMILES for [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate is CC[C@H](C)[C@@H](NC(=O)COC(=O)c1ccccc1Oc1ccccc1)C(=O)OC.
What is the InChIKey of [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate?
The InChIKey is VMRSMFAVSWPUEX-MGPUTAFESA-N. The full InChI is InChI=1S/C22H25NO6/c1-4-15(2)20(22(26)27-3)23-19(24)14-28-21(25)17-12-8-9-13-18(17)29-16-10-6-5-7-11-16/h5-13,15,20H,4,14H2,1-3H3,(H,23,24)/t15-,20+/m0/s1.
What are the key properties of [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate?
[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate has a molecular weight of 399.44 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate is sourced from PubChem (CID 9199889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).