N-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide

C23H21NO2 — CID 53281445

IUPACN-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2cc3c(ccc4ccccc43)o2)c1
InChIInChI=1S/C23H21NO2/c1-14-8-9-15(2)19(12-14)16(3)24-23(25)22-13-20-18-7-5-4-6-17(18)10-11-21(20)26-22/h4-13,16H,1-3H3,(H,24,25)
InChIKeyIBZZQQMGWNYQIL-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.69
Rot. Bonds3

About N-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide

N-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide (PubChem CID 53281445) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
PubChem CID53281445
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2cc3c(ccc4ccccc43)o2)c1
InChIInChI=1S/C23H21NO2/c1-14-8-9-15(2)19(12-14)16(3)24-23(25)22-13-20-18-7-5-4-6-17(18)10-11-21(20)26-22/h4-13,16H,1-3H3,(H,24,25)
InChIKeyIBZZQQMGWNYQIL-UHFFFAOYSA-N
XLogP5.69
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide
CID 100565674
N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide
CID 2986419
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 94011908
N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17327235
N-[1-(3-sulfamoylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 167857934
ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
N,N-dimethylbenzo[e][1]benzofuran-2-carboxamide
CID 2990859
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 92646642
N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 6468570
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 6876424
N-[(3-bromo-4-methylphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 1003012

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide (CID 53281445) is N-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide is Cc1ccc(C)c(C(C)NC(=O)c2cc3c(ccc4ccccc43)o2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide?
The InChIKey is IBZZQQMGWNYQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-14-8-9-15(2)19(12-14)16(3)24-23(25)22-13-20-18-7-5-4-6-17(18)10-11-21(20)26-22/h4-13,16H,1-3H3,(H,24,25).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide?
N-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 53281445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).