N-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide

C26H23N5O4 — CID 3570088

IUPACN-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide
SMILESCc1cccc(NC(=O)Cn2c(O)c(/N=N/C(=O)C(=O)NCc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C26H23N5O4/c1-17-8-7-11-19(14-17)28-22(32)16-31-21-13-6-5-12-20(21)23(26(31)35)29-30-25(34)24(33)27-15-18-9-3-2-4-10-18/h2-14,35H,15-16H2,1H3,(H,27,33)(H,28,32)/b30-29+
InChIKeyDCIGLQBJDLELGE-QVIHXGFCSA-N
MW469.50 g/mol
LogP4.22
Rot. Bonds6

About N-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide

N-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide (PubChem CID 3570088) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is N-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide.

Molecular Properties

Compound NameN-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide
PubChem CID3570088
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC NameN-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide
SMILESCc1cccc(NC(=O)Cn2c(O)c(/N=N/C(=O)C(=O)NCc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C26H23N5O4/c1-17-8-7-11-19(14-17)28-22(32)16-31-21-13-6-5-12-20(21)23(26(31)35)29-30-25(34)24(33)27-15-18-9-3-2-4-10-18/h2-14,35H,15-16H2,1H3,(H,27,33)(H,28,32)/b30-29+
InChIKeyDCIGLQBJDLELGE-QVIHXGFCSA-N
XLogP4.22
TPSA125.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 54.22
H-Bond Donors ≤ 53
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-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide
CID 2253515
2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide
CID 2333388
N'-[1-(2-anilino-2-oxoethyl)-5-bromo-2-hydroxyindol-3-yl]imino-N-(4-methylphenyl)oxamide
CID 4652493
2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide
CID 2304852
2-(2-hydroxy-3-phenyldiazenylindol-1-yl)-N-(4-methylphenyl)acetamide
CID 3101781
N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide
CID 3375454
N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide
CID 4264369
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
2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid
CID 1255359
N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide
CID 1048808
N,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide
CID 17251057

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide?
The IUPAC name of N-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide (CID 3570088) is N-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide.
What is the SMILES notation for N-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide?
The canonical SMILES for N-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide is Cc1cccc(NC(=O)Cn2c(O)c(/N=N/C(=O)C(=O)NCc3ccccc3)c3ccccc32)c1.
What is the InChIKey of N-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide?
The InChIKey is DCIGLQBJDLELGE-QVIHXGFCSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-17-8-7-11-19(14-17)28-22(32)16-31-21-13-6-5-12-20(21)23(26(31)35)29-30-25(34)24(33)27-15-18-9-3-2-4-10-18/h2-14,35H,15-16H2,1H3,(H,27,33)(H,28,32)/b30-29+.
What are the key properties of N-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide?
N-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide has a molecular weight of 469.50 g/mol, XLogP of 4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide is sourced from PubChem (CID 3570088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).