N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide

C19H19N5O3 — CID 3375454

IUPACN'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide
SMILESCN(C)Cn1c(O)c(/N=N/C(=O)C(=O)Nc2ccccc2)c2ccccc21
InChIInChI=1S/C19H19N5O3/c1-23(2)12-24-15-11-7-6-10-14(15)16(19(24)27)21-22-18(26)17(25)20-13-8-4-3-5-9-13/h3-11,27H,12H2,1-2H3,(H,20,25)/b22-21+
InChIKeyWZDVTVSGFUBKAG-QURGRASLSA-N
MW365.39 g/mol
LogP3.12
Rot. Bonds4

About N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide

N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide (PubChem CID 3375454) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide.

Molecular Properties

Compound NameN'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide
PubChem CID3375454
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide
SMILESCN(C)Cn1c(O)c(/N=N/C(=O)C(=O)Nc2ccccc2)c2ccccc21
InChIInChI=1S/C19H19N5O3/c1-23(2)12-24-15-11-7-6-10-14(15)16(19(24)27)21-22-18(26)17(25)20-13-8-4-3-5-9-13/h3-11,27H,12H2,1-2H3,(H,20,25)/b22-21+
InChIKeyWZDVTVSGFUBKAG-QURGRASLSA-N
XLogP3.12
TPSA99.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.12
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'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide
CID 3838815
N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide
CID 135574739
N'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide
CID 4573569
N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 828327
N'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide
CID 3101776
N'-[1-(2-anilino-2-oxoethyl)-5-bromo-2-hydroxyindol-3-yl]imino-N-(4-methylphenyl)oxamide
CID 4652493
2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid
CID 1255359
N-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide
CID 3570088
diethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium
CID 135575864
2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide
CID 2304852
N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide
CID 2253515
2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 135951883

Frequently Asked Questions

What is the IUPAC name of N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide?
The IUPAC name of N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide (CID 3375454) is N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide.
What is the SMILES notation for N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide?
The canonical SMILES for N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide is CN(C)Cn1c(O)c(/N=N/C(=O)C(=O)Nc2ccccc2)c2ccccc21.
What is the InChIKey of N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide?
The InChIKey is WZDVTVSGFUBKAG-QURGRASLSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-23(2)12-24-15-11-7-6-10-14(15)16(19(24)27)21-22-18(26)17(25)20-13-8-4-3-5-9-13/h3-11,27H,12H2,1-2H3,(H,20,25)/b22-21+.
What are the key properties of N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide?
N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide has a molecular weight of 365.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide is sourced from PubChem (CID 3375454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).