N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide

C26H23N5O5 — CID 2253515

IUPACN'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)/N=N/c1c(O)n(CC(=O)Nc2cccc(C)c2)c2ccccc12
InChIInChI=1S/C26H23N5O5/c1-16-8-7-9-17(14-16)27-22(32)15-31-20-12-5-3-10-18(20)23(26(31)35)29-30-25(34)24(33)28-19-11-4-6-13-21(19)36-2/h3-14,35H,15H2,1-2H3,(H,27,32)(H,28,33)/b30-29+
InChIKeyVOGHWHGRLXEMOR-QVIHXGFCSA-N
MW485.50 g/mol
LogP4.55
Rot. Bonds6

About N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide

N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide (PubChem CID 2253515) has the molecular formula C26H23N5O5 and a molecular weight of 485.50 g/mol. Its IUPAC name is N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide
PubChem CID2253515
Molecular FormulaC26H23N5O5
Molecular Weight485.50 g/mol
Exact Mass485.17
IUPAC NameN'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)/N=N/c1c(O)n(CC(=O)Nc2cccc(C)c2)c2ccccc12
InChIInChI=1S/C26H23N5O5/c1-16-8-7-9-17(14-16)27-22(32)15-31-20-12-5-3-10-18(20)23(26(31)35)29-30-25(34)24(33)28-19-11-4-6-13-21(19)36-2/h3-14,35H,15H2,1-2H3,(H,27,32)(H,28,33)/b30-29+
InChIKeyVOGHWHGRLXEMOR-QVIHXGFCSA-N
XLogP4.55
TPSA134.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 54.55
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide?
The IUPAC name of N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide (CID 2253515) is N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide?
The canonical SMILES for N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide is COc1ccccc1NC(=O)C(=O)/N=N/c1c(O)n(CC(=O)Nc2cccc(C)c2)c2ccccc12.
What is the InChIKey of N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide?
The InChIKey is VOGHWHGRLXEMOR-QVIHXGFCSA-N. The full InChI is InChI=1S/C26H23N5O5/c1-16-8-7-9-17(14-16)27-22(32)15-31-20-12-5-3-10-18(20)23(26(31)35)29-30-25(34)24(33)28-19-11-4-6-13-21(19)36-2/h3-14,35H,15H2,1-2H3,(H,27,32)(H,28,33)/b30-29+.
What are the key properties of N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide?
N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide has a molecular weight of 485.50 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide is sourced from PubChem (CID 2253515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).