2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide

C21H23N3O2 — CID 97427649

IUPAC2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide
SMILESCO[C@@H]1CCN(c2ccc(NC(=O)Cn3ccc4ccccc43)cc2)C1
InChIInChI=1S/C21H23N3O2/c1-26-19-11-13-23(14-19)18-8-6-17(7-9-18)22-21(25)15-24-12-10-16-4-2-3-5-20(16)24/h2-10,12,19H,11,13-15H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyWBOMXDMDVJLCGX-LJQANCHMSA-N
MW349.43 g/mol
LogP3.51
Rot. Bonds5

About 2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide

2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide (PubChem CID 97427649) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide
PubChem CID97427649
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide
SMILESCO[C@@H]1CCN(c2ccc(NC(=O)Cn3ccc4ccccc43)cc2)C1
InChIInChI=1S/C21H23N3O2/c1-26-19-11-13-23(14-19)18-8-6-17(7-9-18)22-21(25)15-24-12-10-16-4-2-3-5-20(16)24/h2-10,12,19H,11,13-15H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyWBOMXDMDVJLCGX-LJQANCHMSA-N
XLogP3.51
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
CID 124848062
2-(benzotriazol-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141698
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide
CID 97427535
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]acetamide
CID 90595482
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-(5-morpholin-4-yltetrazol-2-yl)acetamide
CID 90595407
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 71809763
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-indol-1-ylacetamide
CID 53367825
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 71809789
2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of 2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide (CID 97427649) is 2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide is CO[C@@H]1CCN(c2ccc(NC(=O)Cn3ccc4ccccc43)cc2)C1.
What is the InChIKey of 2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is WBOMXDMDVJLCGX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-19-11-13-23(14-19)18-8-6-17(7-9-18)22-21(25)15-24-12-10-16-4-2-3-5-20(16)24/h2-10,12,19H,11,13-15H2,1H3,(H,22,25)/t19-/m1/s1.
What are the key properties of 2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide?
2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 97427649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).