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

C20H22N2O4 — CID 142653052

IUPAC[2-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
SMILESCOc1ccc2c(c1)C(CCNC(=O)c1ccccc1OC(C)=O)CN2
InChIInChI=1S/C20H22N2O4/c1-13(23)26-19-6-4-3-5-16(19)20(24)21-10-9-14-12-22-18-8-7-15(25-2)11-17(14)18/h3-8,11,14,22H,9-10,12H2,1-2H3,(H,21,24)
InChIKeyFKLFVDKQFJCZNJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.95
Rot. Bonds6

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

[2-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate (PubChem CID 142653052) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [2-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
PubChem CID142653052
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[2-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
SMILESCOc1ccc2c(c1)C(CCNC(=O)c1ccccc1OC(C)=O)CN2
InChIInChI=1S/C20H22N2O4/c1-13(23)26-19-6-4-3-5-16(19)20(24)21-10-9-14-12-22-18-8-7-15(25-2)11-17(14)18/h3-8,11,14,22H,9-10,12H2,1-2H3,(H,21,24)
InChIKeyFKLFVDKQFJCZNJ-UHFFFAOYSA-N
XLogP2.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

ethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
CID 156715163
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 24700732
(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
CID 124549466
3-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxylic acid
CID 71126385
[2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate
CID 86574466
N-[2-(6-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
CID 11737271
[2-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl] acetate
CID 16918481
2-methoxy-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
CID 110730190
2,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide
CID 60894812
[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
CID 3362065
5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986376
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methoxy-2-methylpropanamide
CID 103019631

Frequently Asked Questions

What is the IUPAC name of [2-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate?
The IUPAC name of [2-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate (CID 142653052) is [2-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate?
The canonical SMILES for [2-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate is COc1ccc2c(c1)C(CCNC(=O)c1ccccc1OC(C)=O)CN2.
What is the InChIKey of [2-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate?
The InChIKey is FKLFVDKQFJCZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(23)26-19-6-4-3-5-16(19)20(24)21-10-9-14-12-22-18-8-7-15(25-2)11-17(14)18/h3-8,11,14,22H,9-10,12H2,1-2H3,(H,21,24).
What are the key properties of [2-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate?
[2-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate has a molecular weight of 354.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 142653052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).