1H-indol-2-yl N-(2-acetamidoethyl)carbamate

C13H15N3O3 — CID 91346981

IUPAC1H-indol-2-yl N-(2-acetamidoethyl)carbamate
SMILESCC(=O)NCCNC(=O)Oc1cc2ccccc2[nH]1
InChIInChI=1S/C13H15N3O3/c1-9(17)14-6-7-15-13(18)19-12-8-10-4-2-3-5-11(10)16-12/h2-5,8,16H,6-7H2,1H3,(H,14,17)(H,15,18)
InChIKeyUQWUUKHYLKIJNK-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.39
Rot. Bonds4

About 1H-indol-2-yl N-(2-acetamidoethyl)carbamate

1H-indol-2-yl N-(2-acetamidoethyl)carbamate (PubChem CID 91346981) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1H-indol-2-yl N-(2-acetamidoethyl)carbamate.

Molecular Properties

Compound Name1H-indol-2-yl N-(2-acetamidoethyl)carbamate
PubChem CID91346981
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name1H-indol-2-yl N-(2-acetamidoethyl)carbamate
SMILESCC(=O)NCCNC(=O)Oc1cc2ccccc2[nH]1
InChIInChI=1S/C13H15N3O3/c1-9(17)14-6-7-15-13(18)19-12-8-10-4-2-3-5-11(10)16-12/h2-5,8,16H,6-7H2,1H3,(H,14,17)(H,15,18)
InChIKeyUQWUUKHYLKIJNK-UHFFFAOYSA-N
XLogP1.39
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl N-(2-acetamidoethyl)carbamate?
The IUPAC name of 1H-indol-2-yl N-(2-acetamidoethyl)carbamate (CID 91346981) is 1H-indol-2-yl N-(2-acetamidoethyl)carbamate.
What is the SMILES notation for 1H-indol-2-yl N-(2-acetamidoethyl)carbamate?
The canonical SMILES for 1H-indol-2-yl N-(2-acetamidoethyl)carbamate is CC(=O)NCCNC(=O)Oc1cc2ccccc2[nH]1.
What is the InChIKey of 1H-indol-2-yl N-(2-acetamidoethyl)carbamate?
The InChIKey is UQWUUKHYLKIJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9(17)14-6-7-15-13(18)19-12-8-10-4-2-3-5-11(10)16-12/h2-5,8,16H,6-7H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 1H-indol-2-yl N-(2-acetamidoethyl)carbamate?
1H-indol-2-yl N-(2-acetamidoethyl)carbamate has a molecular weight of 261.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl N-(2-acetamidoethyl)carbamate is sourced from PubChem (CID 91346981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).