[2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate

C19H21NO4 — CID 7555759

IUPAC[2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate
SMILESCC[C@@H](Oc1ccccc1)C(=O)OCC(=O)NCc1ccccc1
InChIInChI=1S/C19H21NO4/c1-2-17(24-16-11-7-4-8-12-16)19(22)23-14-18(21)20-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyUYBFHMVJWGADRU-QGZVFWFLSA-N
MW327.38 g/mol
LogP2.70
Rot. Bonds8

About [2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate

[2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate (PubChem CID 7555759) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate
PubChem CID7555759
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate
SMILESCC[C@@H](Oc1ccccc1)C(=O)OCC(=O)NCc1ccccc1
InChIInChI=1S/C19H21NO4/c1-2-17(24-16-11-7-4-8-12-16)19(22)23-14-18(21)20-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyUYBFHMVJWGADRU-QGZVFWFLSA-N
XLogP2.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233309
[2-(cyclopentylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233313
[2-(2-carbamoylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233387
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7555599
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
4-[(2-phenoxybutanoylamino)methyl]benzoic acid
CID 17171934
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 43911069
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
[2-oxo-2-(4-sulfamoylanilino)ethyl] (2R)-2-phenoxybutanoate
CID 7229828
ethyl 4-[[2-[(2S)-2-phenoxybutanoyl]oxyacetyl]amino]benzoate
CID 7233328
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate (CID 7555759) is [2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate is CC[C@@H](Oc1ccccc1)C(=O)OCC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate?
The InChIKey is UYBFHMVJWGADRU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21NO4/c1-2-17(24-16-11-7-4-8-12-16)19(22)23-14-18(21)20-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of [2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate?
[2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate has a molecular weight of 327.38 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate is sourced from PubChem (CID 7555759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).