[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate

C22H27NO5 — CID 2652492

IUPAC[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
SMILESCC(C)[C@@H](C)NC(=O)COC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C22H27NO5/c1-16(2)17(3)23-21(24)15-28-22(25)19-11-7-8-12-20(19)27-14-13-26-18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,23,24)/t17-/m1/s1
InChIKeyGPPGYTCVAQJLHS-QGZVFWFLSA-N
MW385.46 g/mol
LogP3.46
Rot. Bonds10

About [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate

[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate (PubChem CID 2652492) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate.

Molecular Properties

Compound Name[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
PubChem CID2652492
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
SMILESCC(C)[C@@H](C)NC(=O)COC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C22H27NO5/c1-16(2)17(3)23-21(24)15-28-22(25)19-11-7-8-12-20(19)27-14-13-26-18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,23,24)/t17-/m1/s1
InChIKeyGPPGYTCVAQJLHS-QGZVFWFLSA-N
XLogP3.46
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate 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-(2-methylpropylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 2595744
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 9492458
[2-(tert-butylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 2595737
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate
CID 7857667
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 4215187
2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43131454
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate
CID 2498353
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 7428538
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate
CID 28567581
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate
CID 7949334
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-nitrobenzoate
CID 2640236
N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide
CID 78767914

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate?
The IUPAC name of [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate (CID 2652492) is [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate.
What is the SMILES notation for [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate?
The canonical SMILES for [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate is CC(C)[C@@H](C)NC(=O)COC(=O)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate?
The InChIKey is GPPGYTCVAQJLHS-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27NO5/c1-16(2)17(3)23-21(24)15-28-22(25)19-11-7-8-12-20(19)27-14-13-26-18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,23,24)/t17-/m1/s1.
What are the key properties of [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate?
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate has a molecular weight of 385.46 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate is sourced from PubChem (CID 2652492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).