N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide

C22H24N4O4 — CID 3624940

IUPACN-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)/N=N/c1c(O)n(CN2CCOCC2)c2ccccc12
InChIInChI=1S/C22H24N4O4/c1-16-6-2-5-9-19(16)30-14-20(27)23-24-21-17-7-3-4-8-18(17)26(22(21)28)15-25-10-12-29-13-11-25/h2-9,28H,10-15H2,1H3/b24-23+
InChIKeyVXASJXPLTFHZQI-WCWDXBQESA-N
MW408.46 g/mol
LogP3.63
Rot. Bonds6

About N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide

N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide (PubChem CID 3624940) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide
PubChem CID3624940
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)/N=N/c1c(O)n(CN2CCOCC2)c2ccccc12
InChIInChI=1S/C22H24N4O4/c1-16-6-2-5-9-19(16)30-14-20(27)23-24-21-17-7-3-4-8-18(17)26(22(21)28)15-25-10-12-29-13-11-25/h2-9,28H,10-15H2,1H3/b24-23+
InChIKeyVXASJXPLTFHZQI-WCWDXBQESA-N
XLogP3.63
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.63
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-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide (CID 3624940) is N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)/N=N/c1c(O)n(CN2CCOCC2)c2ccccc12.
What is the InChIKey of N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide?
The InChIKey is VXASJXPLTFHZQI-WCWDXBQESA-N. The full InChI is InChI=1S/C22H24N4O4/c1-16-6-2-5-9-19(16)30-14-20(27)23-24-21-17-7-3-4-8-18(17)26(22(21)28)15-25-10-12-29-13-11-25/h2-9,28H,10-15H2,1H3/b24-23+.
What are the key properties of N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide?
N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide has a molecular weight of 408.46 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 3624940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).