N-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide

C22H25N3O3 — CID 1243514

IUPACN-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1ccc2c(c1)c(/N=N/C(=O)COc1ccc(C(C)C)cc1C)c(O)n2C
InChIInChI=1S/C22H25N3O3/c1-13(2)16-7-9-19(15(4)11-16)28-12-20(26)23-24-21-17-10-14(3)6-8-18(17)25(5)22(21)27/h6-11,13,27H,12H2,1-5H3/b24-23+
InChIKeyPTZATLYZYGHWCD-WCWDXBQESA-N
MW379.46 g/mol
LogP5.31
Rot. Bonds5

About N-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide

N-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 1243514) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide
PubChem CID1243514
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1ccc2c(c1)c(/N=N/C(=O)COc1ccc(C(C)C)cc1C)c(O)n2C
InChIInChI=1S/C22H25N3O3/c1-13(2)16-7-9-19(15(4)11-16)28-12-20(26)23-24-21-17-10-14(3)6-8-18(17)25(5)22(21)27/h6-11,13,27H,12H2,1-5H3/b24-23+
InChIKeyPTZATLYZYGHWCD-WCWDXBQESA-N
XLogP5.31
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.31
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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Related Compounds

N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide
CID 1240511
N,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide
CID 4500205
2-(2,4-dichlorophenoxy)-N-[2-hydroxy-5-methyl-1-(3-methylbutyl)indol-3-yl]iminoacetamide
CID 4503375
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)iminoacetamide
CID 4504996
2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide
CID 4501600
N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide
CID 1377579
N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide
CID 4503166
N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
CID 4503009
2-(4-chlorophenoxy)-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminoacetamide
CID 4503165
ethyl 2-[3-[[2-(2,4-dimethylphenoxy)acetyl]diazenyl]-2-hydroxyindol-1-yl]acetate
CID 135957357
N-(7-bromo-2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(4-bromo-2-methoxyphenoxy)acetamide
CID 1381413
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide (CID 1243514) is N-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide is Cc1ccc2c(c1)c(/N=N/C(=O)COc1ccc(C(C)C)cc1C)c(O)n2C.
What is the InChIKey of N-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide?
The InChIKey is PTZATLYZYGHWCD-WCWDXBQESA-N. The full InChI is InChI=1S/C22H25N3O3/c1-13(2)16-7-9-19(15(4)11-16)28-12-20(26)23-24-21-17-10-14(3)6-8-18(17)25(5)22(21)27/h6-11,13,27H,12H2,1-5H3/b24-23+.
What are the key properties of N-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide?
N-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 379.46 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1,5-dimethylindol-3-yl)imino-2-(2-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 1243514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).