2-benzo[e][1]benzofuran-1-yl-N,N-bis(2-methylpropyl)acetamide

C22H27NO2 — CID 829766

IUPAC2-benzo[e][1]benzofuran-1-yl-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C22H27NO2/c1-15(2)12-23(13-16(3)4)21(24)11-18-14-25-20-10-9-17-7-5-6-8-19(17)22(18)20/h5-10,14-16H,11-13H2,1-4H3
InChIKeyYOHKNQKBSJXCDT-UHFFFAOYSA-N
MW337.46 g/mol
LogP5.27
Rot. Bonds6

About 2-benzo[e][1]benzofuran-1-yl-N,N-bis(2-methylpropyl)acetamide

2-benzo[e][1]benzofuran-1-yl-N,N-bis(2-methylpropyl)acetamide (PubChem CID 829766) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N,N-bis(2-methylpropyl)acetamide
PubChem CID829766
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C22H27NO2/c1-15(2)12-23(13-16(3)4)21(24)11-18-14-25-20-10-9-17-7-5-6-8-19(17)22(18)20/h5-10,14-16H,11-13H2,1-4H3
InChIKeyYOHKNQKBSJXCDT-UHFFFAOYSA-N
XLogP5.27
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N,N-bis(2-methylpropyl)acetamide (CID 829766) is 2-benzo[e][1]benzofuran-1-yl-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)Cc1coc2ccc3ccccc3c12.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is YOHKNQKBSJXCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-15(2)12-23(13-16(3)4)21(24)11-18-14-25-20-10-9-17-7-5-6-8-19(17)22(18)20/h5-10,14-16H,11-13H2,1-4H3.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N,N-bis(2-methylpropyl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 337.46 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 829766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).