4-[2-(1H-indol-3-yl)ethylcarbamoyloxy]butyl N-[2-(1H-indol-3-yl)ethyl]carbamate

C26H30N4O4 — CID 23640942

IUPAC4-[2-(1H-indol-3-yl)ethylcarbamoyloxy]butyl N-[2-(1H-indol-3-yl)ethyl]carbamate
SMILESO=C(NCCc1c[nH]c2ccccc12)OCCCCOC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C26H30N4O4/c31-25(27-13-11-19-17-29-23-9-3-1-7-21(19)23)33-15-5-6-16-34-26(32)28-14-12-20-18-30-24-10-4-2-8-22(20)24/h1-4,7-10,17-18,29-30H,5-6,11-16H2,(H,27,31)(H,28,32)
InChIKeyBMHXXWZSCSVBRU-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.67
Rot. Bonds11

About 4-[2-(1H-indol-3-yl)ethylcarbamoyloxy]butyl N-[2-(1H-indol-3-yl)ethyl]carbamate

4-[2-(1H-indol-3-yl)ethylcarbamoyloxy]butyl N-[2-(1H-indol-3-yl)ethyl]carbamate (PubChem CID 23640942) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)ethylcarbamoyloxy]butyl N-[2-(1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)ethylcarbamoyloxy]butyl N-[2-(1H-indol-3-yl)ethyl]carbamate
PubChem CID23640942
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name4-[2-(1H-indol-3-yl)ethylcarbamoyloxy]butyl N-[2-(1H-indol-3-yl)ethyl]carbamate
SMILESO=C(NCCc1c[nH]c2ccccc12)OCCCCOC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C26H30N4O4/c31-25(27-13-11-19-17-29-23-9-3-1-7-21(19)23)33-15-5-6-16-34-26(32)28-14-12-20-18-30-24-10-4-2-8-22(20)24/h1-4,7-10,17-18,29-30H,5-6,11-16H2,(H,27,31)(H,28,32)
InChIKeyBMHXXWZSCSVBRU-UHFFFAOYSA-N
XLogP4.67
TPSA108.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 4-[2-(1H-indol-3-yl)ethylcarbamoyloxy]butyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of 4-[2-(1H-indol-3-yl)ethylcarbamoyloxy]butyl N-[2-(1H-indol-3-yl)ethyl]carbamate (CID 23640942) is 4-[2-(1H-indol-3-yl)ethylcarbamoyloxy]butyl N-[2-(1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)ethylcarbamoyloxy]butyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for 4-[2-(1H-indol-3-yl)ethylcarbamoyloxy]butyl N-[2-(1H-indol-3-yl)ethyl]carbamate is O=C(NCCc1c[nH]c2ccccc12)OCCCCOC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 4-[2-(1H-indol-3-yl)ethylcarbamoyloxy]butyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
The InChIKey is BMHXXWZSCSVBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c31-25(27-13-11-19-17-29-23-9-3-1-7-21(19)23)33-15-5-6-16-34-26(32)28-14-12-20-18-30-24-10-4-2-8-22(20)24/h1-4,7-10,17-18,29-30H,5-6,11-16H2,(H,27,31)(H,28,32).
What are the key properties of 4-[2-(1H-indol-3-yl)ethylcarbamoyloxy]butyl N-[2-(1H-indol-3-yl)ethyl]carbamate?
4-[2-(1H-indol-3-yl)ethylcarbamoyloxy]butyl N-[2-(1H-indol-3-yl)ethyl]carbamate has a molecular weight of 462.55 g/mol, XLogP of 4.67, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)ethylcarbamoyloxy]butyl N-[2-(1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 23640942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).