[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate

C23H21NO5 — CID 8566042

IUPAC[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)N[C@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO5/c25-18-11-12-19(21(26)14-18)23(28)29-15-22(27)24-20(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-12,14,20,25-26H,13,15H2,(H,24,27)/t20-/m1/s1
InChIKeyIENOQUKDMPUSFT-HXUWFJFHSA-N
MW391.42 g/mol
LogP3.35
Rot. Bonds7

About [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate

[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate (PubChem CID 8566042) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate
PubChem CID8566042
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)N[C@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO5/c25-18-11-12-19(21(26)14-18)23(28)29-15-22(27)24-20(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-12,14,20,25-26H,13,15H2,(H,24,27)/t20-/m1/s1
InChIKeyIENOQUKDMPUSFT-HXUWFJFHSA-N
XLogP3.35
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate with MolForge

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Related Compounds

[2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 18193784
4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55373772
[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8520255
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-hydroxy-4-methylbenzoate
CID 2611794
[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 8520166
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870817
[2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate
CID 46814702
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870754
[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8530232
1,2-diphenylethylurea
CID 2853470
[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8520907
N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide
CID 107725945

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate (CID 8566042) is [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1O)N[C@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate?
The InChIKey is IENOQUKDMPUSFT-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21NO5/c25-18-11-12-19(21(26)14-18)23(28)29-15-22(27)24-20(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-12,14,20,25-26H,13,15H2,(H,24,27)/t20-/m1/s1.
What are the key properties of [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate?
[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate has a molecular weight of 391.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate is sourced from PubChem (CID 8566042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).