N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide

C25H25N3O3 — CID 4503009

IUPACN-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc2c(c1)c(/N=N/C(=O)COc1ccc3ccccc3c1)c(O)n2CC(C)C
InChIInChI=1S/C25H25N3O3/c1-16(2)14-28-22-11-8-17(3)12-21(22)24(25(28)30)27-26-23(29)15-31-20-10-9-18-6-4-5-7-19(18)13-20/h4-13,16,30H,14-15H2,1-3H3/b27-26+
InChIKeyOJKIPHCWPMPEBR-CYYJNZCTSA-N
MW415.49 g/mol
LogP6.15
Rot. Bonds6

About N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide

N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide (PubChem CID 4503009) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
PubChem CID4503009
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc2c(c1)c(/N=N/C(=O)COc1ccc3ccccc3c1)c(O)n2CC(C)C
InChIInChI=1S/C25H25N3O3/c1-16(2)14-28-22-11-8-17(3)12-21(22)24(25(28)30)27-26-23(29)15-31-20-10-9-18-6-4-5-7-19(18)13-20/h4-13,16,30H,14-15H2,1-3H3/b27-26+
InChIKeyOJKIPHCWPMPEBR-CYYJNZCTSA-N
XLogP6.15
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 56.15
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-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide (CID 4503009) is N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide is Cc1ccc2c(c1)c(/N=N/C(=O)COc1ccc3ccccc3c1)c(O)n2CC(C)C.
What is the InChIKey of N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide?
The InChIKey is OJKIPHCWPMPEBR-CYYJNZCTSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-16(2)14-28-22-11-8-17(3)12-21(22)24(25(28)30)27-26-23(29)15-31-20-10-9-18-6-4-5-7-19(18)13-20/h4-13,16,30H,14-15H2,1-3H3/b27-26+.
What are the key properties of N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide?
N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide has a molecular weight of 415.49 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 4503009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).