N-[3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]propyl]acetamide

C23H29NO2 — CID 12071674

IUPACN-[3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]propyl]acetamide
SMILESCC(=O)NCCCc1cccc2c1C[C@@H](CCCCc1ccccc1)O2
InChIInChI=1S/C23H29NO2/c1-18(25)24-16-8-13-20-12-7-15-23-22(20)17-21(26-23)14-6-5-11-19-9-3-2-4-10-19/h2-4,7,9-10,12,15,21H,5-6,8,11,13-14,16-17H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeyUKEQYEOJOXOZPK-OAQYLSRUSA-N
MW351.49 g/mol
LogP4.47
Rot. Bonds9

About N-[3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]propyl]acetamide

N-[3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]propyl]acetamide (PubChem CID 12071674) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]propyl]acetamide
PubChem CID12071674
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-[3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]propyl]acetamide
SMILESCC(=O)NCCCc1cccc2c1C[C@@H](CCCCc1ccccc1)O2
InChIInChI=1S/C23H29NO2/c1-18(25)24-16-8-13-20-12-7-15-23-22(20)17-21(26-23)14-6-5-11-19-9-3-2-4-10-19/h2-4,7,9-10,12,15,21H,5-6,8,11,13-14,16-17H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeyUKEQYEOJOXOZPK-OAQYLSRUSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
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-[3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]propyl]acetamide?
The IUPAC name of N-[3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]propyl]acetamide (CID 12071674) is N-[3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]propyl]acetamide?
The canonical SMILES for N-[3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]propyl]acetamide is CC(=O)NCCCc1cccc2c1C[C@@H](CCCCc1ccccc1)O2.
What is the InChIKey of N-[3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]propyl]acetamide?
The InChIKey is UKEQYEOJOXOZPK-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29NO2/c1-18(25)24-16-8-13-20-12-7-15-23-22(20)17-21(26-23)14-6-5-11-19-9-3-2-4-10-19/h2-4,7,9-10,12,15,21H,5-6,8,11,13-14,16-17H2,1H3,(H,24,25)/t21-/m1/s1.
What are the key properties of N-[3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]propyl]acetamide?
N-[3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]propyl]acetamide has a molecular weight of 351.49 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]propyl]acetamide is sourced from PubChem (CID 12071674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).