N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide

C21H23N3O3 — CID 1240511

IUPACN-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1ccc2[nH]c(O)c(/N=N/C(=O)COc3ccc(C(C)C)cc3C)c2c1
InChIInChI=1S/C21H23N3O3/c1-12(2)15-6-8-18(14(4)10-15)27-11-19(25)23-24-20-16-9-13(3)5-7-17(16)22-21(20)26/h5-10,12,22,26H,11H2,1-4H3/b24-23+
InChIKeyCAGBGNSESYBEIU-WCWDXBQESA-N
MW365.43 g/mol
LogP5.30
Rot. Bonds5

About N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide

N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 1240511) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide
PubChem CID1240511
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1ccc2[nH]c(O)c(/N=N/C(=O)COc3ccc(C(C)C)cc3C)c2c1
InChIInChI=1S/C21H23N3O3/c1-12(2)15-6-8-18(14(4)10-15)27-11-19(25)23-24-20-16-9-13(3)5-7-17(16)22-21(20)26/h5-10,12,22,26H,11H2,1-4H3/b24-23+
InChIKeyCAGBGNSESYBEIU-WCWDXBQESA-N
XLogP5.30
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.30
H-Bond Donors ≤ 52
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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Related Compounds

2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 5090132
N-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide
CID 1243514
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
CID 4634793
2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
CID 135775220
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(2,5-dimethylphenoxy)acetamide
CID 135983081
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 2131419
N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 1381525
2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
CID 135557715
2-(2,4-dibromo-6-methoxyphenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]acetamide
CID 1043453
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
CID 2424477
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135811317

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide (CID 1240511) is N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide is Cc1ccc2[nH]c(O)c(/N=N/C(=O)COc3ccc(C(C)C)cc3C)c2c1.
What is the InChIKey of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide?
The InChIKey is CAGBGNSESYBEIU-WCWDXBQESA-N. The full InChI is InChI=1S/C21H23N3O3/c1-12(2)15-6-8-18(14(4)10-15)27-11-19(25)23-24-20-16-9-13(3)5-7-17(16)22-21(20)26/h5-10,12,22,26H,11H2,1-4H3/b24-23+.
What are the key properties of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide?
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 365.43 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 1240511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).