N-[(1S)-1-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

C22H26N2O3 — CID 118473385

IUPACN-[(1S)-1-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc4c(c3)CCO4)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-15(23-16(2)25)17-3-6-20(7-4-17)27-21-9-11-24(14-21)19-5-8-22-18(13-19)10-12-26-22/h3-8,13,15,21H,9-12,14H2,1-2H3,(H,23,25)/t15-,21?/m0/s1
InChIKeyZRUIKWYDZPTKIP-ZDGMYTEDSA-N
MW366.46 g/mol
LogP3.48
Rot. Bonds5

About N-[(1S)-1-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

N-[(1S)-1-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 118473385) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID118473385
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(1S)-1-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc4c(c3)CCO4)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-15(23-16(2)25)17-3-6-20(7-4-17)27-21-9-11-24(14-21)19-5-8-22-18(13-19)10-12-26-22/h3-8,13,15,21H,9-12,14H2,1-2H3,(H,23,25)/t15-,21?/m0/s1
InChIKeyZRUIKWYDZPTKIP-ZDGMYTEDSA-N
XLogP3.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[(1S)-1-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]oxyphenyl]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-[(1S)-1-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 118473385) is N-[(1S)-1-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc4c(c3)CCO4)C2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is ZRUIKWYDZPTKIP-ZDGMYTEDSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(23-16(2)25)17-3-6-20(7-4-17)27-21-9-11-24(14-21)19-5-8-22-18(13-19)10-12-26-22/h3-8,13,15,21H,9-12,14H2,1-2H3,(H,23,25)/t15-,21?/m0/s1.
What are the key properties of N-[(1S)-1-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 118473385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).