N-[2-hydroxy-5-methyl-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide

C26H26N4O4 — CID 135537764

IUPACN-[2-hydroxy-5-methyl-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc2c(c1)c(/N=N/C(=O)COc1ccc3ccccc3c1)c(O)n2CN1CCOCC1
InChIInChI=1S/C26H26N4O4/c1-18-6-9-23-22(14-18)25(26(32)30(23)17-29-10-12-33-13-11-29)28-27-24(31)16-34-21-8-7-19-4-2-3-5-20(19)15-21/h2-9,14-15,32H,10-13,16-17H2,1H3/b28-27+
InChIKeyXCLBGRMGKLQKRH-BYYHNAKLSA-N
MW458.52 g/mol
LogP4.79
Rot. Bonds6

About N-[2-hydroxy-5-methyl-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide

N-[2-hydroxy-5-methyl-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide (PubChem CID 135537764) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[2-hydroxy-5-methyl-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-methyl-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
PubChem CID135537764
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN-[2-hydroxy-5-methyl-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc2c(c1)c(/N=N/C(=O)COc1ccc3ccccc3c1)c(O)n2CN1CCOCC1
InChIInChI=1S/C26H26N4O4/c1-18-6-9-23-22(14-18)25(26(32)30(23)17-29-10-12-33-13-11-29)28-27-24(31)16-34-21-8-7-19-4-2-3-5-20(19)15-21/h2-9,14-15,32H,10-13,16-17H2,1H3/b28-27+
InChIKeyXCLBGRMGKLQKRH-BYYHNAKLSA-N
XLogP4.79
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.79
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-methyl-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[2-hydroxy-5-methyl-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide (CID 135537764) is N-[2-hydroxy-5-methyl-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[2-hydroxy-5-methyl-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[2-hydroxy-5-methyl-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide is Cc1ccc2c(c1)c(/N=N/C(=O)COc1ccc3ccccc3c1)c(O)n2CN1CCOCC1.
What is the InChIKey of N-[2-hydroxy-5-methyl-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide?
The InChIKey is XCLBGRMGKLQKRH-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-18-6-9-23-22(14-18)25(26(32)30(23)17-29-10-12-33-13-11-29)28-27-24(31)16-34-21-8-7-19-4-2-3-5-20(19)15-21/h2-9,14-15,32H,10-13,16-17H2,1H3/b28-27+.
What are the key properties of N-[2-hydroxy-5-methyl-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide?
N-[2-hydroxy-5-methyl-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide has a molecular weight of 458.52 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-methyl-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 135537764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).