[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate

C20H20N2O4 — CID 2987344

IUPAC[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3ccc(OC(C)=O)cc3)c2c1
InChIInChI=1S/C20H20N2O4/c1-13(23)26-16-5-3-14(4-6-16)20(24)21-10-9-15-12-22-19-8-7-17(25-2)11-18(15)19/h3-8,11-12,22H,9-10H2,1-2H3,(H,21,24)
InChIKeyBEJXVYSXKGEQHF-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.07
Rot. Bonds6

About [4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate

[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate (PubChem CID 2987344) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
PubChem CID2987344
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3ccc(OC(C)=O)cc3)c2c1
InChIInChI=1S/C20H20N2O4/c1-13(23)26-16-5-3-14(4-6-16)20(24)21-10-9-15-12-22-19-8-7-17(25-2)11-18(15)19/h3-8,11-12,22H,9-10H2,1-2H3,(H,21,24)
InChIKeyBEJXVYSXKGEQHF-UHFFFAOYSA-N
XLogP3.07
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide
CID 129111079
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
CID 51852107
(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 177382635
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75491978
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 53010729
6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 146092029
4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 129111066
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 24749698

Frequently Asked Questions

What is the IUPAC name of [4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate?
The IUPAC name of [4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate (CID 2987344) is [4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate?
The canonical SMILES for [4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate is COc1ccc2[nH]cc(CCNC(=O)c3ccc(OC(C)=O)cc3)c2c1.
What is the InChIKey of [4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate?
The InChIKey is BEJXVYSXKGEQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13(23)26-16-5-3-14(4-6-16)20(24)21-10-9-15-12-22-19-8-7-17(25-2)11-18(15)19/h3-8,11-12,22H,9-10H2,1-2H3,(H,21,24).
What are the key properties of [4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate?
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate has a molecular weight of 352.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 2987344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).