2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide

C27H27N3O2 — CID 135620342

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)c1
InChIInChI=1S/C27H27N3O2/c1-18(2)21-14-13-19(3)15-25(21)32-17-26(31)30-28-16-23-22-11-7-8-12-24(22)29-27(23)20-9-5-4-6-10-20/h4-16,18,29H,17H2,1-3H3,(H,30,31)/b28-16+
InChIKeyVDCYONNZFARBID-LQKURTRISA-N
MW425.53 g/mol
LogP5.80
Rot. Bonds7

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide (PubChem CID 135620342) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
PubChem CID135620342
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)c1
InChIInChI=1S/C27H27N3O2/c1-18(2)21-14-13-19(3)15-25(21)32-17-26(31)30-28-16-23-22-11-7-8-12-24(22)29-27(23)20-9-5-4-6-10-20/h4-16,18,29H,17H2,1-3H3,(H,30,31)/b28-16+
InChIKeyVDCYONNZFARBID-LQKURTRISA-N
XLogP5.80
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 3529778
2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135674723
N-[(E)-(2-hydroxy-5-phenylfuran-3-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135987122
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 7728220
2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 922557
2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 594133
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6898722
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6142910
2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide
CID 5187756
N-[(E)-3-methylbutylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19166730
N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6898844
N-[(3-chlorophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 690156

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide (CID 135620342) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide is Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide?
The InChIKey is VDCYONNZFARBID-LQKURTRISA-N. The full InChI is InChI=1S/C27H27N3O2/c1-18(2)21-14-13-19(3)15-25(21)32-17-26(31)30-28-16-23-22-11-7-8-12-24(22)29-27(23)20-9-5-4-6-10-20/h4-16,18,29H,17H2,1-3H3,(H,30,31)/b28-16+.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide has a molecular weight of 425.53 g/mol, XLogP of 5.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 135620342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).