[2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate

C19H18N2O4 — CID 118723540

IUPAC[2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C19H18N2O4/c1-12(22)25-18-5-3-2-4-15(18)19(24)20-9-8-13-11-21-17-7-6-14(23)10-16(13)17/h2-7,10-11,21,23H,8-9H2,1H3,(H,20,24)
InChIKeyJAZROSZBYQESRL-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.77
Rot. Bonds5

About [2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate

[2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate (PubChem CID 118723540) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is [2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
PubChem CID118723540
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name[2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C19H18N2O4/c1-12(22)25-18-5-3-2-4-15(18)19(24)20-9-8-13-11-21-17-7-6-14(23)10-16(13)17/h2-7,10-11,21,23H,8-9H2,1H3,(H,20,24)
InChIKeyJAZROSZBYQESRL-UHFFFAOYSA-N
XLogP2.77
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate 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-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 168786739
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
N-[3-(5-hydroxy-1H-indol-3-yl)propyl]benzamide
CID 18360710
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 118723541
(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 24749698
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
2,6-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271734
(2-chloro-4,5-dimethoxyphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 6737402
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
N-[4-(3,5-dichlorophenyl)butyl]-2-[[2-(5-hydroxy-1H-indol-3-yl)ethylamino]methyl]benzamide
CID 23544291
(3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 6734996
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970

Frequently Asked Questions

What is the IUPAC name of [2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate?
The IUPAC name of [2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate (CID 118723540) is [2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate?
The canonical SMILES for [2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)NCCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of [2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate?
The InChIKey is JAZROSZBYQESRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12(22)25-18-5-3-2-4-15(18)19(24)20-9-8-13-11-21-17-7-6-14(23)10-16(13)17/h2-7,10-11,21,23H,8-9H2,1H3,(H,20,24).
What are the key properties of [2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate?
[2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate has a molecular weight of 338.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 118723540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).