N-butyl-5-methyl-N-(2-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide

C26H27NO2 — CID 145462524

IUPACN-butyl-5-methyl-N-(2-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide
SMILESCCCCN(CCc1ccc2ccccc2c1)C(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C26H27NO2/c1-3-4-14-27(15-13-20-10-11-21-7-5-6-8-22(21)17-20)26(28)25-18-23-16-19(2)9-12-24(23)29-25/h5-12,16-18H,3-4,13-15H2,1-2H3
InChIKeyCBTLPTFKXOGMCA-UHFFFAOYSA-N
MW385.51 g/mol
LogP6.38
Rot. Bonds7

About N-butyl-5-methyl-N-(2-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide

N-butyl-5-methyl-N-(2-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 145462524) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-butyl-5-methyl-N-(2-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-methyl-N-(2-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID145462524
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC NameN-butyl-5-methyl-N-(2-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide
SMILESCCCCN(CCc1ccc2ccccc2c1)C(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C26H27NO2/c1-3-4-14-27(15-13-20-10-11-21-7-5-6-8-22(21)17-20)26(28)25-18-23-16-19(2)9-12-24(23)29-25/h5-12,16-18H,3-4,13-15H2,1-2H3
InChIKeyCBTLPTFKXOGMCA-UHFFFAOYSA-N
XLogP6.38
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-5-methyl-N-(2-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide;ethane;1-methanidyl-3,5-dimethylbenzene;niobium(5+)
CID 145462523
5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide
CID 61089879
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
CID 177170487
4-[(5-chloro-1-benzofuran-2-carbonyl)-(naphthalen-2-ylmethyl)amino]butyl-[(3,5-dimethylphenyl)methyl]-diethylazanium
CID 59781069
N,N-dibutylnaphthalene-2-carboxamide
CID 154151885
N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide
CID 80660638
1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
CID 115808102
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 115772526
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
CID 63287232
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 107493354
5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide
CID 61094776
N-(2-chloroethyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 63391619

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methyl-N-(2-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-butyl-5-methyl-N-(2-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide (CID 145462524) is N-butyl-5-methyl-N-(2-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-butyl-5-methyl-N-(2-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-butyl-5-methyl-N-(2-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide is CCCCN(CCc1ccc2ccccc2c1)C(=O)c1cc2cc(C)ccc2o1.
What is the InChIKey of N-butyl-5-methyl-N-(2-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is CBTLPTFKXOGMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c1-3-4-14-27(15-13-20-10-11-21-7-5-6-8-22(21)17-20)26(28)25-18-23-16-19(2)9-12-24(23)29-25/h5-12,16-18H,3-4,13-15H2,1-2H3.
What are the key properties of N-butyl-5-methyl-N-(2-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide?
N-butyl-5-methyl-N-(2-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methyl-N-(2-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 145462524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).