N-[2-[2-(indol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide

C22H23N3O2 — CID 90666303

IUPACN-[2-[2-(indol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
SMILESCOc1ccc2[nH]c(Cn3ccc4ccccc43)c(CCNC(C)=O)c2c1
InChIInChI=1S/C22H23N3O2/c1-15(26)23-11-9-18-19-13-17(27-2)7-8-20(19)24-21(18)14-25-12-10-16-5-3-4-6-22(16)25/h3-8,10,12-13,24H,9,11,14H2,1-2H3,(H,23,26)
InChIKeyKOWIZMBMXRQPDU-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.86
Rot. Bonds6

About N-[2-[2-(indol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide

N-[2-[2-(indol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide (PubChem CID 90666303) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-[2-(indol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(indol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
PubChem CID90666303
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[2-[2-(indol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
SMILESCOc1ccc2[nH]c(Cn3ccc4ccccc43)c(CCNC(C)=O)c2c1
InChIInChI=1S/C22H23N3O2/c1-15(26)23-11-9-18-19-13-17(27-2)7-8-20(19)24-21(18)14-25-12-10-16-5-3-4-6-22(16)25/h3-8,10,12-13,24H,9,11,14H2,1-2H3,(H,23,26)
InChIKeyKOWIZMBMXRQPDU-UHFFFAOYSA-N
XLogP3.86
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(indol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(indol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide (CID 90666303) is N-[2-[2-(indol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(indol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(indol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide is COc1ccc2[nH]c(Cn3ccc4ccccc43)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[2-(indol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is KOWIZMBMXRQPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(26)23-11-9-18-19-13-17(27-2)7-8-20(19)24-21(18)14-25-12-10-16-5-3-4-6-22(16)25/h3-8,10,12-13,24H,9,11,14H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[2-(indol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
N-[2-[2-(indol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(indol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 90666303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).