2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide

C23H27N3O3 — CID 135726405

IUPAC2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)COc2ccc(C)c(C)c2)c2ccccc21
InChIInChI=1S/C23H27N3O3/c1-4-5-8-13-26-20-10-7-6-9-19(20)22(23(26)28)25-24-21(27)15-29-18-12-11-16(2)17(3)14-18/h6-7,9-12,14,28H,4-5,8,13,15H2,1-3H3/b25-24+
InChIKeyGWXMPMFIGMGMCF-OCOZRVBESA-N
MW393.49 g/mol
LogP5.84
Rot. Bonds8

About 2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide

2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide (PubChem CID 135726405) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
PubChem CID135726405
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)COc2ccc(C)c(C)c2)c2ccccc21
InChIInChI=1S/C23H27N3O3/c1-4-5-8-13-26-20-10-7-6-9-19(20)22(23(26)28)25-24-21(27)15-29-18-12-11-16(2)17(3)14-18/h6-7,9-12,14,28H,4-5,8,13,15H2,1-3H3/b25-24+
InChIKeyGWXMPMFIGMGMCF-OCOZRVBESA-N
XLogP5.84
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726406
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-phenoxyacetamide
CID 135604167
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide
CID 135604171
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
CID 963929
2-(3,5-dimethylphenoxy)-N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminoacetamide
CID 135674746
methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
CID 2692604
[2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium
CID 135848863
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide
CID 1138559
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide
CID 4506316
methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate
CID 135604049
tert-butyl N-(1-hexyl-2-hydroxyindol-3-yl)iminocarbamate
CID 135881483
N-[1-(3-cyanopropyl)-2-hydroxyindol-3-yl]imino-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 3936690

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide (CID 135726405) is 2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide is CCCCCn1c(O)c(/N=N/C(=O)COc2ccc(C)c(C)c2)c2ccccc21.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide?
The InChIKey is GWXMPMFIGMGMCF-OCOZRVBESA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-5-8-13-26-20-10-7-6-9-19(20)22(23(26)28)25-24-21(27)15-29-18-12-11-16(2)17(3)14-18/h6-7,9-12,14,28H,4-5,8,13,15H2,1-3H3/b25-24+.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide?
2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide has a molecular weight of 393.49 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide is sourced from PubChem (CID 135726405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).