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

C21H21N5O4 — CID 3838815

IUPACN'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide
SMILESO=C(/N=N/c1c(O)n(CN2CCOCC2)c2ccccc12)C(=O)Nc1ccccc1
InChIInChI=1S/C21H21N5O4/c27-19(22-15-6-2-1-3-7-15)20(28)24-23-18-16-8-4-5-9-17(16)26(21(18)29)14-25-10-12-30-13-11-25/h1-9,29H,10-14H2,(H,22,27)/b24-23+
InChIKeyYJASFRAQUWDCFE-WCWDXBQESA-N
MW407.43 g/mol
LogP2.89
Rot. Bonds4

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

N'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide (PubChem CID 3838815) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is N'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide.

Molecular Properties

Compound NameN'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide
PubChem CID3838815
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC NameN'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide
SMILESO=C(/N=N/c1c(O)n(CN2CCOCC2)c2ccccc12)C(=O)Nc1ccccc1
InChIInChI=1S/C21H21N5O4/c27-19(22-15-6-2-1-3-7-15)20(28)24-23-18-16-8-4-5-9-17(16)26(21(18)29)14-25-10-12-30-13-11-25/h1-9,29H,10-14H2,(H,22,27)/b24-23+
InChIKeyYJASFRAQUWDCFE-WCWDXBQESA-N
XLogP2.89
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
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': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide
CID 3375454
4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide
CID 135671924
3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol
CID 4311773
N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide
CID 3624940
N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide
CID 135574739
1-(3-chloro-2-methylphenyl)-3-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminothiourea
CID 4048737
[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea
CID 4158642
N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide
CID 135537768
2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide
CID 137175115
1-[5-fluoro-2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-3-(4-fluorophenyl)thiourea
CID 135950051
2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide
CID 135537774
N'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide
CID 3101776

Frequently Asked Questions

What is the IUPAC name of N'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide?
The IUPAC name of N'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide (CID 3838815) is N'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide.
What is the SMILES notation for N'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide?
The canonical SMILES for N'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide is O=C(/N=N/c1c(O)n(CN2CCOCC2)c2ccccc12)C(=O)Nc1ccccc1.
What is the InChIKey of N'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide?
The InChIKey is YJASFRAQUWDCFE-WCWDXBQESA-N. The full InChI is InChI=1S/C21H21N5O4/c27-19(22-15-6-2-1-3-7-15)20(28)24-23-18-16-8-4-5-9-17(16)26(21(18)29)14-25-10-12-30-13-11-25/h1-9,29H,10-14H2,(H,22,27)/b24-23+.
What are the key properties of N'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide?
N'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide has a molecular weight of 407.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 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-N-phenyloxamide is sourced from PubChem (CID 3838815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).