N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methylanilino)acetamide

C18H18N4O2 — CID 773026

IUPACN-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)/N=N/c2c(O)n(C)c3ccccc23)cc1
InChIInChI=1S/C18H18N4O2/c1-12-7-9-13(10-8-12)19-11-16(23)20-21-17-14-5-3-4-6-15(14)22(2)18(17)24/h3-10,19,24H,11H2,1-2H3/b21-20+
InChIKeySOSRITDZNRCDEF-QZQOTICOSA-N
MW322.37 g/mol
LogP3.91
Rot. Bonds4

About N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methylanilino)acetamide

N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methylanilino)acetamide (PubChem CID 773026) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methylanilino)acetamide
PubChem CID773026
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)/N=N/c2c(O)n(C)c3ccccc23)cc1
InChIInChI=1S/C18H18N4O2/c1-12-7-9-13(10-8-12)19-11-16(23)20-21-17-14-5-3-4-6-15(14)22(2)18(17)24/h3-10,19,24H,11H2,1-2H3/b21-20+
InChIKeySOSRITDZNRCDEF-QZQOTICOSA-N
XLogP3.91
TPSA78.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-1-methylindol-3-yl)imino-2-(4-methylanilino)acetamide?
The IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methylanilino)acetamide (CID 773026) is N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methylanilino)acetamide?
The canonical SMILES for N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methylanilino)acetamide is Cc1ccc(NCC(=O)/N=N/c2c(O)n(C)c3ccccc23)cc1.
What is the InChIKey of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methylanilino)acetamide?
The InChIKey is SOSRITDZNRCDEF-QZQOTICOSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-7-9-13(10-8-12)19-11-16(23)20-21-17-14-5-3-4-6-15(14)22(2)18(17)24/h3-10,19,24H,11H2,1-2H3/b21-20+.
What are the key properties of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methylanilino)acetamide?
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methylanilino)acetamide has a molecular weight of 322.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methylanilino)acetamide is sourced from PubChem (CID 773026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).