N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-1-benzofuran-7-carboxamide

C23H27NO2 — CID 70200430

IUPACN-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-1-benzofuran-7-carboxamide
SMILESCc1oc2c(C(=O)Nc3c(C(C)C)cccc3C(C)C)cccc2c1C
InChIInChI=1S/C23H27NO2/c1-13(2)17-9-7-10-18(14(3)4)21(17)24-23(25)20-12-8-11-19-15(5)16(6)26-22(19)20/h7-14H,1-6H3,(H,24,25)
InChIKeyAGTSZAZNPDFCSH-UHFFFAOYSA-N
MW349.47 g/mol
LogP6.55
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-1-benzofuran-7-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-1-benzofuran-7-carboxamide (PubChem CID 70200430) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-1-benzofuran-7-carboxamide
PubChem CID70200430
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-1-benzofuran-7-carboxamide
SMILESCc1oc2c(C(=O)Nc3c(C(C)C)cccc3C(C)C)cccc2c1C
InChIInChI=1S/C23H27NO2/c1-13(2)17-9-7-10-18(14(3)4)21(17)24-23(25)20-12-8-11-19-15(5)16(6)26-22(19)20/h7-14H,1-6H3,(H,24,25)
InChIKeyAGTSZAZNPDFCSH-UHFFFAOYSA-N
XLogP6.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-hydroxybenzamide
CID 121296745
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-[2,6-di(propan-2-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 26102414
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
3-(2,3-dimethyl-1-benzofuran-7-yl)pentanedioic acid
CID 23468815
2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 8778786
4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26688276
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-nitrobenzamide
CID 957054
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 40766303
7-fluoro-3-methyl-N-(2-propan-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 9344647
2-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 4106952

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-1-benzofuran-7-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-1-benzofuran-7-carboxamide (CID 70200430) is N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-1-benzofuran-7-carboxamide is Cc1oc2c(C(=O)Nc3c(C(C)C)cccc3C(C)C)cccc2c1C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-1-benzofuran-7-carboxamide?
The InChIKey is AGTSZAZNPDFCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-13(2)17-9-7-10-18(14(3)4)21(17)24-23(25)20-12-8-11-19-15(5)16(6)26-22(19)20/h7-14H,1-6H3,(H,24,25).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-1-benzofuran-7-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-1-benzofuran-7-carboxamide has a molecular weight of 349.47 g/mol, XLogP of 6.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethyl-1-benzofuran-7-carboxamide is sourced from PubChem (CID 70200430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).