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

C18H25N3O2 — CID 25210134

IUPACN-[2-[5-methoxy-2-(pyrrolidin-1-ylmethyl)-1H-indol-3-yl]ethyl]acetamide
SMILESCOc1ccc2[nH]c(CN3CCCC3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C18H25N3O2/c1-13(22)19-8-7-15-16-11-14(23-2)5-6-17(16)20-18(15)12-21-9-3-4-10-21/h5-6,11,20H,3-4,7-10,12H2,1-2H3,(H,19,22)
InChIKeyVXBVQCXKIVQUEZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.45
Rot. Bonds6

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

N-[2-[5-methoxy-2-(pyrrolidin-1-ylmethyl)-1H-indol-3-yl]ethyl]acetamide (PubChem CID 25210134) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-[5-methoxy-2-(pyrrolidin-1-ylmethyl)-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-methoxy-2-(pyrrolidin-1-ylmethyl)-1H-indol-3-yl]ethyl]acetamide
PubChem CID25210134
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[2-[5-methoxy-2-(pyrrolidin-1-ylmethyl)-1H-indol-3-yl]ethyl]acetamide
SMILESCOc1ccc2[nH]c(CN3CCCC3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C18H25N3O2/c1-13(22)19-8-7-15-16-11-14(23-2)5-6-17(16)20-18(15)12-21-9-3-4-10-21/h5-6,11,20H,3-4,7-10,12H2,1-2H3,(H,19,22)
InChIKeyVXBVQCXKIVQUEZ-UHFFFAOYSA-N
XLogP2.45
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methoxy-2-(pyrrolidin-1-ylmethyl)-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-methoxy-2-(pyrrolidin-1-ylmethyl)-1H-indol-3-yl]ethyl]acetamide (CID 25210134) is N-[2-[5-methoxy-2-(pyrrolidin-1-ylmethyl)-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-methoxy-2-(pyrrolidin-1-ylmethyl)-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-methoxy-2-(pyrrolidin-1-ylmethyl)-1H-indol-3-yl]ethyl]acetamide is COc1ccc2[nH]c(CN3CCCC3)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[5-methoxy-2-(pyrrolidin-1-ylmethyl)-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is VXBVQCXKIVQUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(22)19-8-7-15-16-11-14(23-2)5-6-17(16)20-18(15)12-21-9-3-4-10-21/h5-6,11,20H,3-4,7-10,12H2,1-2H3,(H,19,22).
What are the key properties of N-[2-[5-methoxy-2-(pyrrolidin-1-ylmethyl)-1H-indol-3-yl]ethyl]acetamide?
N-[2-[5-methoxy-2-(pyrrolidin-1-ylmethyl)-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methoxy-2-(pyrrolidin-1-ylmethyl)-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 25210134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).