[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate

C24H23NO4 — CID 2624891

IUPAC[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate
SMILESC[C@@H](OC(=O)c1ccc(O)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H23NO4/c1-18(29-24(28)21-12-14-22(26)15-13-21)23(27)25(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15,18,26H,16-17H2,1H3/t18-/m1/s1
InChIKeyPWGYXLLWQJYQGL-GOSISDBHSA-N
MW389.45 g/mol
LogP4.17
Rot. Bonds7

About [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate

[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate (PubChem CID 2624891) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate
PubChem CID2624891
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate
SMILESC[C@@H](OC(=O)c1ccc(O)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H23NO4/c1-18(29-24(28)21-12-14-22(26)15-13-21)23(27)25(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15,18,26H,16-17H2,1H3/t18-/m1/s1
InChIKeyPWGYXLLWQJYQGL-GOSISDBHSA-N
XLogP4.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(dibenzylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 18274566
[1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
CID 46792741
[(2S)-1-(dibenzylamino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572185
[1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 42972459
4-O-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42898779
[1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 55319467
[(2S)-1-(dibenzylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 2098366
[1-(dibenzylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 16522527
[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 2607540
[1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 55392511
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133546
1-benzoyloxyethyl 4-hydroxybenzoate
CID 22257585

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate?
The IUPAC name of [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate (CID 2624891) is [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate.
What is the SMILES notation for [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate?
The canonical SMILES for [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate is C[C@@H](OC(=O)c1ccc(O)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate?
The InChIKey is PWGYXLLWQJYQGL-GOSISDBHSA-N. The full InChI is InChI=1S/C24H23NO4/c1-18(29-24(28)21-12-14-22(26)15-13-21)23(27)25(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15,18,26H,16-17H2,1H3/t18-/m1/s1.
What are the key properties of [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate?
[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate has a molecular weight of 389.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate is sourced from PubChem (CID 2624891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).