N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide

C21H22N4O4 — CID 3411635

IUPACN-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
SMILESCCn1c(O)c(/N=N/C(=O)CNC(=O)COc2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C21H22N4O4/c1-3-25-17-7-5-4-6-16(17)20(21(25)28)24-23-18(26)12-22-19(27)13-29-15-10-8-14(2)9-11-15/h4-11,28H,3,12-13H2,1-2H3,(H,22,27)/b24-23+
InChIKeyHXPNLNPHIBDBPC-WCWDXBQESA-N
MW394.43 g/mol
LogP3.48
Rot. Bonds7

About N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide

N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide (PubChem CID 3411635) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
PubChem CID3411635
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
SMILESCCn1c(O)c(/N=N/C(=O)CNC(=O)COc2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C21H22N4O4/c1-3-25-17-7-5-4-6-16(17)20(21(25)28)24-23-18(26)12-22-19(27)13-29-15-10-8-14(2)9-11-15/h4-11,28H,3,12-13H2,1-2H3,(H,22,27)/b24-23+
InChIKeyHXPNLNPHIBDBPC-WCWDXBQESA-N
XLogP3.48
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide (CID 3411635) is N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide is CCn1c(O)c(/N=N/C(=O)CNC(=O)COc2ccc(C)cc2)c2ccccc21.
What is the InChIKey of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide?
The InChIKey is HXPNLNPHIBDBPC-WCWDXBQESA-N. The full InChI is InChI=1S/C21H22N4O4/c1-3-25-17-7-5-4-6-16(17)20(21(25)28)24-23-18(26)12-22-19(27)13-29-15-10-8-14(2)9-11-15/h4-11,28H,3,12-13H2,1-2H3,(H,22,27)/b24-23+.
What are the key properties of N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide?
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide has a molecular weight of 394.43 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 3411635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).