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

C24H21N3O3 — CID 135576133

IUPAC2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
SMILESCc1cccc2c(/N=N/C(=O)COc3ccccc3Cc3ccccc3)c(O)[nH]c12
InChIInChI=1S/C24H21N3O3/c1-16-8-7-12-19-22(16)25-24(29)23(19)27-26-21(28)15-30-20-13-6-5-11-18(20)14-17-9-3-2-4-10-17/h2-13,25,29H,14-15H2,1H3/b27-26+
InChIKeyVMFBXPIBXZHRAF-CYYJNZCTSA-N
MW399.45 g/mol
LogP5.46
Rot. Bonds6

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

2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide (PubChem CID 135576133) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
PubChem CID135576133
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
SMILESCc1cccc2c(/N=N/C(=O)COc3ccccc3Cc3ccccc3)c(O)[nH]c12
InChIInChI=1S/C24H21N3O3/c1-16-8-7-12-19-22(16)25-24(29)23(19)27-26-21(28)15-30-20-13-6-5-11-18(20)14-17-9-3-2-4-10-17/h2-13,25,29H,14-15H2,1H3/b27-26+
InChIKeyVMFBXPIBXZHRAF-CYYJNZCTSA-N
XLogP5.46
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.46
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-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
CID 135551915
N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
CID 1126524
ethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate
CID 2692659
(2-hydroxy-7-methyl-1H-indol-3-yl)iminourea
CID 788841
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(2-methylphenoxy)acetamide
CID 2846909
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
CID 4634793
N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide
CID 3566388
N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide
CID 3500750
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide
CID 135582404
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 2131419
2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135620348

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide (CID 135576133) is 2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide is Cc1cccc2c(/N=N/C(=O)COc3ccccc3Cc3ccccc3)c(O)[nH]c12.
What is the InChIKey of 2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide?
The InChIKey is VMFBXPIBXZHRAF-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-8-7-12-19-22(16)25-24(29)23(19)27-26-21(28)15-30-20-13-6-5-11-18(20)14-17-9-3-2-4-10-17/h2-13,25,29H,14-15H2,1H3/b27-26+.
What are the key properties of 2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide?
2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide has a molecular weight of 399.45 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 135576133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).