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

C21H24N2O2 — CID 56653120

IUPACN-[2-[5-(3-phenylpropoxy)-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2ccc(OCCCc3ccccc3)cc12
InChIInChI=1S/C21H24N2O2/c1-16(24)22-12-11-18-15-23-21-10-9-19(14-20(18)21)25-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,14-15,23H,5,8,11-13H2,1H3,(H,22,24)
InChIKeyNWHYEFMMIIPWTL-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.86
Rot. Bonds8

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

N-[2-[5-(3-phenylpropoxy)-1H-indol-3-yl]ethyl]acetamide (PubChem CID 56653120) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-[5-(3-phenylpropoxy)-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(3-phenylpropoxy)-1H-indol-3-yl]ethyl]acetamide
PubChem CID56653120
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[2-[5-(3-phenylpropoxy)-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2ccc(OCCCc3ccccc3)cc12
InChIInChI=1S/C21H24N2O2/c1-16(24)22-12-11-18-15-23-21-10-9-19(14-20(18)21)25-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,14-15,23H,5,8,11-13H2,1H3,(H,22,24)
InChIKeyNWHYEFMMIIPWTL-UHFFFAOYSA-N
XLogP3.86
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-[2-[5-(3-phenylpropoxy)-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-(3-phenylpropoxy)-1H-indol-3-yl]ethyl]acetamide (CID 56653120) is N-[2-[5-(3-phenylpropoxy)-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-(3-phenylpropoxy)-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-(3-phenylpropoxy)-1H-indol-3-yl]ethyl]acetamide is CC(=O)NCCc1c[nH]c2ccc(OCCCc3ccccc3)cc12.
What is the InChIKey of N-[2-[5-(3-phenylpropoxy)-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is NWHYEFMMIIPWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16(24)22-12-11-18-15-23-21-10-9-19(14-20(18)21)25-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,14-15,23H,5,8,11-13H2,1H3,(H,22,24).
What are the key properties of N-[2-[5-(3-phenylpropoxy)-1H-indol-3-yl]ethyl]acetamide?
N-[2-[5-(3-phenylpropoxy)-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-phenylpropoxy)-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 56653120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).