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

C18H17N3O3 — CID 3559565

IUPACN-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)/N=N/c1c(O)n(C)c2ccccc12
InChIInChI=1S/C18H17N3O3/c1-12-7-3-6-10-15(12)24-11-16(22)19-20-17-13-8-4-5-9-14(13)21(2)18(17)23/h3-10,23H,11H2,1-2H3/b20-19+
InChIKeyUPNHELQLKIPDPQ-FMQUCBEESA-N
MW323.35 g/mol
LogP3.88
Rot. Bonds4

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

N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylphenoxy)acetamide (PubChem CID 3559565) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylphenoxy)acetamide
PubChem CID3559565
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)/N=N/c1c(O)n(C)c2ccccc12
InChIInChI=1S/C18H17N3O3/c1-12-7-3-6-10-15(12)24-11-16(22)19-20-17-13-8-4-5-9-14(13)21(2)18(17)23/h3-10,23H,11H2,1-2H3/b20-19+
InChIKeyUPNHELQLKIPDPQ-FMQUCBEESA-N
XLogP3.88
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
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-(2-methylphenoxy)acetamide?
The IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylphenoxy)acetamide (CID 3559565) is N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)/N=N/c1c(O)n(C)c2ccccc12.
What is the InChIKey of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylphenoxy)acetamide?
The InChIKey is UPNHELQLKIPDPQ-FMQUCBEESA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-7-3-6-10-15(12)24-11-16(22)19-20-17-13-8-4-5-9-14(13)21(2)18(17)23/h3-10,23H,11H2,1-2H3/b20-19+.
What are the key properties of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylphenoxy)acetamide?
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylphenoxy)acetamide has a molecular weight of 323.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 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-(2-methylphenoxy)acetamide is sourced from PubChem (CID 3559565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).