N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide

C18H18N4O2 — CID 135730971

IUPACN-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)/N=N/c2c(O)[nH]c3c(C)cccc23)cc1
InChIInChI=1S/C18H18N4O2/c1-11-6-8-13(9-7-11)19-10-15(23)21-22-17-14-5-3-4-12(2)16(14)20-18(17)24/h3-9,19-20,24H,10H2,1-2H3/b22-21+
InChIKeyVPOFDFUEUCEUGF-QURGRASLSA-N
MW322.37 g/mol
LogP4.21
Rot. Bonds4

About N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide

N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide (PubChem CID 135730971) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide
PubChem CID135730971
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)/N=N/c2c(O)[nH]c3c(C)cccc23)cc1
InChIInChI=1S/C18H18N4O2/c1-11-6-8-13(9-7-11)19-10-15(23)21-22-17-14-5-3-4-12(2)16(14)20-18(17)24/h3-9,19-20,24H,10H2,1-2H3/b22-21+
InChIKeyVPOFDFUEUCEUGF-QURGRASLSA-N
XLogP4.21
TPSA89.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide (CID 135730971) is N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide is Cc1ccc(NCC(=O)/N=N/c2c(O)[nH]c3c(C)cccc23)cc1.
What is the InChIKey of N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide?
The InChIKey is VPOFDFUEUCEUGF-QURGRASLSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-6-8-13(9-7-11)19-10-15(23)21-22-17-14-5-3-4-12(2)16(14)20-18(17)24/h3-9,19-20,24H,10H2,1-2H3/b22-21+.
What are the key properties of N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide?
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide has a molecular weight of 322.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 135730971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).