[2-(benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate

C22H19NO4 — CID 2352506

IUPAC[2-(benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO4/c24-19-13-11-18(12-14-19)22(26)27-15-20(25)23-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21,24H,15H2,(H,23,25)
InChIKeyZCLRYBBVYJEBDX-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.45
Rot. Bonds6

About [2-(benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate

[2-(benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 2352506) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate
PubChem CID2352506
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO4/c24-19-13-11-18(12-14-19)22(26)27-15-20(25)23-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21,24H,15H2,(H,23,25)
InChIKeyZCLRYBBVYJEBDX-UHFFFAOYSA-N
XLogP3.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-Hydroxybenzoyl)amino]azepan-4-YL 4-hydroxybenzoate
CID 448326
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(S)-3-(4-Hydroxy-phenyl)-2-[(naphthalene-1-carbonyl)-amino]-propionic acid ethyl ester
CID 9885355
Propionic acid, 2-benzoylamino-3-(4-hydroxyphenyl)-, methyl ester
CID 570999
[2-(Benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 2343076
ethyl (2S)-2-(benzoylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoate
CID 10257335
2-Benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 333413
4-[(1S)-1-[[(2R)-3-methyl-2-(2-phenoxyethoxy)butanoyl]amino]ethyl]benzoic acid
CID 77050677
4-(2-(4-Isopropylbenzamido)ethoxy)benzoic acid
CID 3081027
[2-(benzylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 2092426
[2-Oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate
CID 2353649
[2-Oxo-2-(propan-2-ylamino)ethyl] 4-hydroxybenzoate
CID 2428800

Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate (CID 2352506) is [2-(benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is ZCLRYBBVYJEBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c24-19-13-11-18(12-14-19)22(26)27-15-20(25)23-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21,24H,15H2,(H,23,25).
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate?
[2-(benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 361.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] 4-hydroxybenzoate is sourced from PubChem (CID 2352506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).