N-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide

C26H23NO3 — CID 4069125

IUPACN-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C26H23NO3/c1-3-17-13-10-14-18(4-2)23(17)27-25(28)24-22(19-11-6-5-7-12-19)20-15-8-9-16-21(20)26(29)30-24/h5-16H,3-4H2,1-2H3,(H,27,28)
InChIKeyFUKGPPYBYCOXNZ-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.84
Rot. Bonds5

About N-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide

N-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide (PubChem CID 4069125) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide
PubChem CID4069125
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC NameN-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C26H23NO3/c1-3-17-13-10-14-18(4-2)23(17)27-25(28)24-22(19-11-6-5-7-12-19)20-15-8-9-16-21(20)26(29)30-24/h5-16H,3-4H2,1-2H3,(H,27,28)
InChIKeyFUKGPPYBYCOXNZ-UHFFFAOYSA-N
XLogP5.84
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide
CID 4073647
N-(2-chloro-4-methylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 20854042
N-(3,3-diethoxypropyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 126479967
N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 4660207
N-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide
CID 12005263
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-oxo-4-phenylisochromene-3-carboxamide
CID 5170321
N-(4-fluoro-3-nitrophenyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 4282313
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylphenyl)-1-oxoisochromene-3-carboxamide
CID 4055823
N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 3417174
2-(2-ethyl-3-phenyl-1-benzofuran-7-yl)acetic acid
CID 3016357
N-[3-(N-ethyl-3-methylanilino)propyl]-4-(4-methylphenyl)-1-oxoisochromene-3-carboxamide
CID 4062779
1-oxo-N,4-diphenyl-N-prop-2-enylisochromene-3-carboxamide
CID 20866211

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide (CID 4069125) is N-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide is CCc1cccc(CC)c1NC(=O)c1oc(=O)c2ccccc2c1-c1ccccc1.
What is the InChIKey of N-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide?
The InChIKey is FUKGPPYBYCOXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-3-17-13-10-14-18(4-2)23(17)27-25(28)24-22(19-11-6-5-7-12-19)20-15-8-9-16-21(20)26(29)30-24/h5-16H,3-4H2,1-2H3,(H,27,28).
What are the key properties of N-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide?
N-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide has a molecular weight of 397.47 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide is sourced from PubChem (CID 4069125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).