butyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate

C20H23NO4 — CID 7984457

IUPACbutyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate
SMILESCCCCOC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-3-4-14-24-20(23)16-10-12-18(13-11-16)25-15(2)19(22)21-17-8-6-5-7-9-17/h5-13,15H,3-4,14H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyRUIRLGMXJIMXOA-OAHLLOKOSA-N
MW341.41 g/mol
LogP4.05
Rot. Bonds8

About butyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate

butyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate (PubChem CID 7984457) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is butyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate.

Molecular Properties

Compound Namebutyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate
PubChem CID7984457
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namebutyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate
SMILESCCCCOC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-3-4-14-24-20(23)16-10-12-18(13-11-16)25-15(2)19(22)21-17-8-6-5-7-9-17/h5-13,15H,3-4,14H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyRUIRLGMXJIMXOA-OAHLLOKOSA-N
XLogP4.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexyl 4-(2-phenoxypropanoylamino)benzoate
CID 53265697
butyl 3-(2-phenoxypropanoylamino)benzoate
CID 53265691
pentyl 4-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267194
butyl 4-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 95076819
propyl 4-[2-[4-(2-phenylpropan-2-yl)phenoxy]propanoylamino]benzoate
CID 53266643
butyl 4-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzoate
CID 53266872
hexyl 4-[2-(3-ethylphenoxy)propanoylamino]benzoate
CID 53266843
butyl 4-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]oxybenzoate
CID 7984447
(1-anilino-1-oxopropan-2-yl) 4-hexoxybenzoate
CID 5078511
ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate
CID 837427
propyl 4-[2-(4-nitrophenoxy)propanoylamino]benzoate
CID 4951235
2-(4-carbamothioylphenoxy)-N-phenylpropanamide
CID 43116878

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate?
The IUPAC name of butyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate (CID 7984457) is butyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate.
What is the SMILES notation for butyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate?
The canonical SMILES for butyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate is CCCCOC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of butyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate?
The InChIKey is RUIRLGMXJIMXOA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-4-14-24-20(23)16-10-12-18(13-11-16)25-15(2)19(22)21-17-8-6-5-7-9-17/h5-13,15H,3-4,14H2,1-2H3,(H,21,22)/t15-/m1/s1.
What are the key properties of butyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate?
butyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate has a molecular weight of 341.41 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxybenzoate is sourced from PubChem (CID 7984457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).