N-[2-[(6-cyano-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]-5-[ethyl(propan-2-yl)amino]phenyl]acetamide

C23H24N6O3 — CID 59057718

IUPACN-[2-[(6-cyano-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]-5-[ethyl(propan-2-yl)amino]phenyl]acetamide
SMILESCCN(c1ccc(/N=N/c2cc3c(cc2C#N)C(=O)N(C)C3=O)c(NC(C)=O)c1)C(C)C
InChIInChI=1S/C23H24N6O3/c1-6-29(13(2)3)16-7-8-19(21(10-16)25-14(4)30)26-27-20-11-18-17(9-15(20)12-24)22(31)28(5)23(18)32/h7-11,13H,6H2,1-5H3,(H,25,30)/b27-26+
InChIKeyLKXMRPAKTOBMNA-CYYJNZCTSA-N
MW432.48 g/mol
LogP4.39
Rot. Bonds6

About N-[2-[(6-cyano-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]-5-[ethyl(propan-2-yl)amino]phenyl]acetamide

N-[2-[(6-cyano-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]-5-[ethyl(propan-2-yl)amino]phenyl]acetamide (PubChem CID 59057718) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[2-[(6-cyano-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]-5-[ethyl(propan-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6-cyano-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]-5-[ethyl(propan-2-yl)amino]phenyl]acetamide
PubChem CID59057718
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC NameN-[2-[(6-cyano-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]-5-[ethyl(propan-2-yl)amino]phenyl]acetamide
SMILESCCN(c1ccc(/N=N/c2cc3c(cc2C#N)C(=O)N(C)C3=O)c(NC(C)=O)c1)C(C)C
InChIInChI=1S/C23H24N6O3/c1-6-29(13(2)3)16-7-8-19(21(10-16)25-14(4)30)26-27-20-11-18-17(9-15(20)12-24)22(31)28(5)23(18)32/h7-11,13H,6H2,1-5H3,(H,25,30)/b27-26+
InChIKeyLKXMRPAKTOBMNA-CYYJNZCTSA-N
XLogP4.39
TPSA118.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-cyano-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]-5-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[2-[(6-cyano-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]-5-[ethyl(propan-2-yl)amino]phenyl]acetamide (CID 59057718) is N-[2-[(6-cyano-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]-5-[ethyl(propan-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[2-[(6-cyano-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]-5-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[2-[(6-cyano-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]-5-[ethyl(propan-2-yl)amino]phenyl]acetamide is CCN(c1ccc(/N=N/c2cc3c(cc2C#N)C(=O)N(C)C3=O)c(NC(C)=O)c1)C(C)C.
What is the InChIKey of N-[2-[(6-cyano-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]-5-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The InChIKey is LKXMRPAKTOBMNA-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-6-29(13(2)3)16-7-8-19(21(10-16)25-14(4)30)26-27-20-11-18-17(9-15(20)12-24)22(31)28(5)23(18)32/h7-11,13H,6H2,1-5H3,(H,25,30)/b27-26+.
What are the key properties of N-[2-[(6-cyano-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]-5-[ethyl(propan-2-yl)amino]phenyl]acetamide?
N-[2-[(6-cyano-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]-5-[ethyl(propan-2-yl)amino]phenyl]acetamide has a molecular weight of 432.48 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-cyano-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]-5-[ethyl(propan-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 59057718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).