N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide

C20H21NO2 — CID 108805400

IUPACN-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C20H21NO2/c1-4-13(2)15-9-5-7-11-17(15)21-20(22)19-14(3)16-10-6-8-12-18(16)23-19/h5-13H,4H2,1-3H3,(H,21,22)
InChIKeyCOMRHOFGXYAFJL-UHFFFAOYSA-N
MW307.39 g/mol
LogP5.51
Rot. Bonds4

About N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide

N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 108805400) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID108805400
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C20H21NO2/c1-4-13(2)15-9-5-7-11-17(15)21-20(22)19-14(3)16-10-6-8-12-18(16)23-19/h5-13H,4H2,1-3H3,(H,21,22)
InChIKeyCOMRHOFGXYAFJL-UHFFFAOYSA-N
XLogP5.51
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.39
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344832
N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 788573
2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 7463653
3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 108793551
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
CID 40636003
3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide
CID 8873313
3-methyl-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-1-benzofuran-2-carboxamide
CID 9464531
N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide
CID 959679
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 108805400) is N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide is CCC(C)c1ccccc1NC(=O)c1oc2ccccc2c1C.
What is the InChIKey of N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is COMRHOFGXYAFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-4-13(2)15-9-5-7-11-17(15)21-20(22)19-14(3)16-10-6-8-12-18(16)23-19/h5-13H,4H2,1-3H3,(H,21,22).
What are the key properties of N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 108805400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).