N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide

C20H21NO3 — CID 90599483

IUPACN-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide
SMILESCCC(CNC(=O)c1cc2ccccc2o1)(OC)c1ccccc1
InChIInChI=1S/C20H21NO3/c1-3-20(23-2,16-10-5-4-6-11-16)14-21-19(22)18-13-15-9-7-8-12-17(15)24-18/h4-13H,3,14H2,1-2H3,(H,21,22)
InChIKeyGQICWJXNKDMDEJ-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.11
Rot. Bonds6

About N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide

N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide (PubChem CID 90599483) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide
PubChem CID90599483
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide
SMILESCCC(CNC(=O)c1cc2ccccc2o1)(OC)c1ccccc1
InChIInChI=1S/C20H21NO3/c1-3-20(23-2,16-10-5-4-6-11-16)14-21-19(22)18-13-15-9-7-8-12-17(15)24-18/h4-13H,3,14H2,1-2H3,(H,21,22)
InChIKeyGQICWJXNKDMDEJ-UHFFFAOYSA-N
XLogP4.11
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 95367357
N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide
CID 97428577
2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 71810728
N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599769
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide
CID 90599093
N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 40623926
N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599704
N-(4-bromo-2,2-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 106143875
2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599532
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 52907053
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 103839648
2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599488

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide (CID 90599483) is N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide is CCC(CNC(=O)c1cc2ccccc2o1)(OC)c1ccccc1.
What is the InChIKey of N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide?
The InChIKey is GQICWJXNKDMDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-3-20(23-2,16-10-5-4-6-11-16)14-21-19(22)18-13-15-9-7-8-12-17(15)24-18/h4-13H,3,14H2,1-2H3,(H,21,22).
What are the key properties of N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide?
N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 90599483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).