[2-oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate

C18H19NO4 — CID 2364511

IUPAC[2-oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccccc1O)NCCCc1ccccc1
InChIInChI=1S/C18H19NO4/c20-16-11-5-4-10-15(16)18(22)23-13-17(21)19-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,20H,6,9,12-13H2,(H,19,21)
InChIKeyMEDGTTTZBXFJLV-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.30
Rot. Bonds7

About [2-oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate

[2-oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate (PubChem CID 2364511) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate
PubChem CID2364511
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccccc1O)NCCCc1ccccc1
InChIInChI=1S/C18H19NO4/c20-16-11-5-4-10-15(16)18(22)23-13-17(21)19-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,20H,6,9,12-13H2,(H,19,21)
InChIKeyMEDGTTTZBXFJLV-UHFFFAOYSA-N
XLogP2.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Morpholin-4-yl-2-oxoethyl) 2-hydroxybenzoate
CID 2094810
Morpholine salicylate
CID 120183
[2-(Benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 2343076
[2-(2-Methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2369755
[2-[(4-Methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 2385431
[2-(Cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2417959
[2-(Azepan-1-yl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2469980
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2636785
[2-(1-Adamantylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 4103005
[2-(Cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate
CID 4162556
2-[2-Oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethoxy]benzoic acid
CID 4877005
[1-(Cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 4877306

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate?
The IUPAC name of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate (CID 2364511) is [2-oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate is O=C(COC(=O)c1ccccc1O)NCCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate?
The InChIKey is MEDGTTTZBXFJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c20-16-11-5-4-10-15(16)18(22)23-13-17(21)19-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,20H,6,9,12-13H2,(H,19,21).
What are the key properties of [2-oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate?
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate has a molecular weight of 313.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate is sourced from PubChem (CID 2364511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).