2-(2,6-diethylphenyl)-N-(2-methoxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide

C26H23N3O6 — CID 108767423

IUPAC2-(2,6-diethylphenyl)-N-(2-methoxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)cc2C1=O
InChIInChI=1S/C26H23N3O6/c1-4-15-7-6-8-16(5-2)23(15)28-25(31)19-11-9-17(13-20(19)26(28)32)24(30)27-21-12-10-18(29(33)34)14-22(21)35-3/h6-14H,4-5H2,1-3H3,(H,27,30)
InChIKeyKBYPYUVTRUTTCW-UHFFFAOYSA-N
MW473.49 g/mol
LogP4.78
Rot. Bonds7

About 2-(2,6-diethylphenyl)-N-(2-methoxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide

2-(2,6-diethylphenyl)-N-(2-methoxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 108767423) has the molecular formula C26H23N3O6 and a molecular weight of 473.49 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-N-(2-methoxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-N-(2-methoxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID108767423
Molecular FormulaC26H23N3O6
Molecular Weight473.49 g/mol
Exact Mass473.16
IUPAC Name2-(2,6-diethylphenyl)-N-(2-methoxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)cc2C1=O
InChIInChI=1S/C26H23N3O6/c1-4-15-7-6-8-16(5-2)23(15)28-25(31)19-11-9-17(13-20(19)26(28)32)24(30)27-21-12-10-18(29(33)34)14-22(21)35-3/h6-14H,4-5H2,1-3H3,(H,27,30)
InChIKeyKBYPYUVTRUTTCW-UHFFFAOYSA-N
XLogP4.78
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-4-nitrophenyl)-1,3-dioxo-2-(pyridin-2-ylmethyl)isoindole-5-carboxamide
CID 108767410
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
4-[[2-(2,6-diethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-hydroxybenzoic acid
CID 108766487
[3-[(2-methoxy-4-nitrophenyl)carbamoyl]phenyl] acetate
CID 108767397
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2915297
4-bromo-N-(2-methoxy-4-nitrophenyl)benzamide
CID 5234028
N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582736
1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-carboxamide
CID 19281013
4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
CID 17153277
N-(2-methoxy-4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 60651141
1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea
CID 108893258

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-N-(2-methoxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(2,6-diethylphenyl)-N-(2-methoxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide (CID 108767423) is 2-(2,6-diethylphenyl)-N-(2-methoxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(2,6-diethylphenyl)-N-(2-methoxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(2,6-diethylphenyl)-N-(2-methoxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide is CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)cc2C1=O.
What is the InChIKey of 2-(2,6-diethylphenyl)-N-(2-methoxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is KBYPYUVTRUTTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O6/c1-4-15-7-6-8-16(5-2)23(15)28-25(31)19-11-9-17(13-20(19)26(28)32)24(30)27-21-12-10-18(29(33)34)14-22(21)35-3/h6-14H,4-5H2,1-3H3,(H,27,30).
What are the key properties of 2-(2,6-diethylphenyl)-N-(2-methoxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide?
2-(2,6-diethylphenyl)-N-(2-methoxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 473.49 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-N-(2-methoxy-4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 108767423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).