N-[1-[2-[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidin-3-yl]acetamide

C24H25N3O3 — CID 68999874

IUPACN-[1-[2-[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(CCc2ccc3c(c2)COC3=C2C(=O)Nc3ccccc32)C1
InChIInChI=1S/C24H25N3O3/c1-15(28)25-18-9-11-27(13-18)10-8-16-6-7-19-17(12-16)14-30-23(19)22-20-4-2-3-5-21(20)26-24(22)29/h2-7,12,18H,8-11,13-14H2,1H3,(H,25,28)(H,26,29)
InChIKeyPDDHIEASIZYXTP-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.79
Rot. Bonds4

About N-[1-[2-[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidin-3-yl]acetamide

N-[1-[2-[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidin-3-yl]acetamide (PubChem CID 68999874) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[1-[2-[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidin-3-yl]acetamide
PubChem CID68999874
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[1-[2-[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(CCc2ccc3c(c2)COC3=C2C(=O)Nc3ccccc32)C1
InChIInChI=1S/C24H25N3O3/c1-15(28)25-18-9-11-27(13-18)10-8-16-6-7-19-17(12-16)14-30-23(19)22-20-4-2-3-5-21(20)26-24(22)29/h2-7,12,18H,8-11,13-14H2,1H3,(H,25,28)(H,26,29)
InChIKeyPDDHIEASIZYXTP-UHFFFAOYSA-N
XLogP2.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidin-3-yl]acetamide (CID 68999874) is N-[1-[2-[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(CCc2ccc3c(c2)COC3=C2C(=O)Nc3ccccc32)C1.
What is the InChIKey of N-[1-[2-[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidin-3-yl]acetamide?
The InChIKey is PDDHIEASIZYXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-15(28)25-18-9-11-27(13-18)10-8-16-6-7-19-17(12-16)14-30-23(19)22-20-4-2-3-5-21(20)26-24(22)29/h2-7,12,18H,8-11,13-14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[1-[2-[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidin-3-yl]acetamide?
N-[1-[2-[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidin-3-yl]acetamide has a molecular weight of 403.48 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[1-(2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 68999874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).