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

C21H21N5O6 — CID 135537768

IUPACN-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)/N=N/c1c(O)n(CN2CCOCC2)c2ccccc12
InChIInChI=1S/C21H21N5O6/c27-19(13-32-16-7-5-15(6-8-16)26(29)30)22-23-20-17-3-1-2-4-18(17)25(21(20)28)14-24-9-11-31-12-10-24/h1-8,28H,9-14H2/b23-22+
InChIKeyBDKIPNUSENDKJB-GHVJWSGMSA-N
MW439.43 g/mol
LogP3.23
Rot. Bonds7

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

N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide (PubChem CID 135537768) has the molecular formula C21H21N5O6 and a molecular weight of 439.43 g/mol. Its IUPAC name is N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide
PubChem CID135537768
Molecular FormulaC21H21N5O6
Molecular Weight439.43 g/mol
Exact Mass439.15
IUPAC NameN-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)/N=N/c1c(O)n(CN2CCOCC2)c2ccccc12
InChIInChI=1S/C21H21N5O6/c27-19(13-32-16-7-5-15(6-8-16)26(29)30)22-23-20-17-3-1-2-4-18(17)25(21(20)28)14-24-9-11-31-12-10-24/h1-8,28H,9-14H2/b23-22+
InChIKeyBDKIPNUSENDKJB-GHVJWSGMSA-N
XLogP3.23
TPSA131.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide (CID 135537768) is N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)/N=N/c1c(O)n(CN2CCOCC2)c2ccccc12.
What is the InChIKey of N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide?
The InChIKey is BDKIPNUSENDKJB-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H21N5O6/c27-19(13-32-16-7-5-15(6-8-16)26(29)30)22-23-20-17-3-1-2-4-18(17)25(21(20)28)14-24-9-11-31-12-10-24/h1-8,28H,9-14H2/b23-22+.
What are the key properties of N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide?
N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide has a molecular weight of 439.43 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 135537768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).