N-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide

C20H21NO2 — CID 132650331

IUPACN-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide
SMILESCCC(NC(=O)c1cc2ccccc2o1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H21NO2/c1-4-17(15-10-9-13(2)14(3)11-15)21-20(22)19-12-16-7-5-6-8-18(16)23-19/h5-12,17H,4H2,1-3H3,(H,21,22)
InChIKeyDMXISWCUUKAIMA-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.93
Rot. Bonds4

About N-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide

N-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide (PubChem CID 132650331) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide
PubChem CID132650331
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide
SMILESCCC(NC(=O)c1cc2ccccc2o1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H21NO2/c1-4-17(15-10-9-13(2)14(3)11-15)21-20(22)19-12-16-7-5-6-8-18(16)23-19/h5-12,17H,4H2,1-3H3,(H,21,22)
InChIKeyDMXISWCUUKAIMA-UHFFFAOYSA-N
XLogP4.93
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide
CID 76779904
N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide
CID 9297376
N-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide
CID 113496418
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide
CID 40635761
N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide
CID 78798389
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide
CID 113376830
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119585558

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide (CID 132650331) is N-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide is CCC(NC(=O)c1cc2ccccc2o1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide?
The InChIKey is DMXISWCUUKAIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-4-17(15-10-9-13(2)14(3)11-15)21-20(22)19-12-16-7-5-6-8-18(16)23-19/h5-12,17H,4H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide?
N-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 132650331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).