2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide

C21H23N3O3 — CID 135551915

IUPAC2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
SMILESCc1cccc2c(/N=N/C(=O)COc3ccc(C(C)(C)C)cc3)c(O)[nH]c12
InChIInChI=1S/C21H23N3O3/c1-13-6-5-7-16-18(13)22-20(26)19(16)24-23-17(25)12-27-15-10-8-14(9-11-15)21(2,3)4/h5-11,22,26H,12H2,1-4H3/b24-23+
InChIKeyWWUUUIRCBLLUOE-WCWDXBQESA-N
MW365.43 g/mol
LogP5.17
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide

2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide (PubChem CID 135551915) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
PubChem CID135551915
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
SMILESCc1cccc2c(/N=N/C(=O)COc3ccc(C(C)(C)C)cc3)c(O)[nH]c12
InChIInChI=1S/C21H23N3O3/c1-13-6-5-7-16-18(13)22-20(26)19(16)24-23-17(25)12-27-15-10-8-14(9-11-15)21(2,3)4/h5-11,22,26H,12H2,1-4H3/b24-23+
InChIKeyWWUUUIRCBLLUOE-WCWDXBQESA-N
XLogP5.17
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.17
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

N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide
CID 3566388
2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
CID 135576133
2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135620348
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide
CID 135730971
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide
CID 135725912
2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135883396
(2-hydroxy-7-methyl-1H-indol-3-yl)iminourea
CID 788841
2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 686521
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide
CID 135582404
N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
CID 1126524
N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
CID 4543096
N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide
CID 137179326

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide (CID 135551915) is 2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide is Cc1cccc2c(/N=N/C(=O)COc3ccc(C(C)(C)C)cc3)c(O)[nH]c12.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide?
The InChIKey is WWUUUIRCBLLUOE-WCWDXBQESA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-6-5-7-16-18(13)22-20(26)19(16)24-23-17(25)12-27-15-10-8-14(9-11-15)21(2,3)4/h5-11,22,26H,12H2,1-4H3/b24-23+.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide?
2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide has a molecular weight of 365.43 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 135551915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).