N-pentan-3-yl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C21H23NO3 — CID 2078313

IUPACN-pentan-3-yl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCC(CC)NC(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C21H23NO3/c1-3-15(4-2)22-21(23)20-18(14-24-16-10-6-5-7-11-16)17-12-8-9-13-19(17)25-20/h5-13,15H,3-4,14H2,1-2H3,(H,22,23)
InChIKeyVYEDDRDHSOTGSR-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.93
Rot. Bonds7

About N-pentan-3-yl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-pentan-3-yl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 2078313) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-pentan-3-yl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-pentan-3-yl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID2078313
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC NameN-pentan-3-yl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCC(CC)NC(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C21H23NO3/c1-3-15(4-2)22-21(23)20-18(14-24-16-10-6-5-7-11-16)17-12-8-9-13-19(17)25-20/h5-13,15H,3-4,14H2,1-2H3,(H,22,23)
InChIKeyVYEDDRDHSOTGSR-UHFFFAOYSA-N
XLogP4.93
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-pentan-3-yl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 2078313) is N-pentan-3-yl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-pentan-3-yl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-pentan-3-yl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is CCC(CC)NC(=O)c1oc2ccccc2c1COc1ccccc1.
What is the InChIKey of N-pentan-3-yl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is VYEDDRDHSOTGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-3-15(4-2)22-21(23)20-18(14-24-16-10-6-5-7-11-16)17-12-8-9-13-19(17)25-20/h5-13,15H,3-4,14H2,1-2H3,(H,22,23).
What are the key properties of N-pentan-3-yl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N-pentan-3-yl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2078313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).