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

C21H21N3O3 — CID 1216112

IUPAC2-(2,4-dimethylphenoxy)-N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminoacetamide
SMILESC=CCn1c(O)c(/N=N/C(=O)COc2ccc(C)cc2C)c2ccccc21
InChIInChI=1S/C21H21N3O3/c1-4-11-24-17-8-6-5-7-16(17)20(21(24)26)23-22-19(25)13-27-18-10-9-14(2)12-15(18)3/h4-10,12,26H,1,11,13H2,2-3H3/b23-22+
InChIKeyUGRIIFBSHZTSNO-GHVJWSGMSA-N
MW363.42 g/mol
LogP4.84
Rot. Bonds6

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

2-(2,4-dimethylphenoxy)-N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminoacetamide (PubChem CID 1216112) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminoacetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminoacetamide
PubChem CID1216112
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(2,4-dimethylphenoxy)-N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminoacetamide
SMILESC=CCn1c(O)c(/N=N/C(=O)COc2ccc(C)cc2C)c2ccccc21
InChIInChI=1S/C21H21N3O3/c1-4-11-24-17-8-6-5-7-16(17)20(21(24)26)23-22-19(25)13-27-18-10-9-14(2)12-15(18)3/h4-10,12,26H,1,11,13H2,2-3H3/b23-22+
InChIKeyUGRIIFBSHZTSNO-GHVJWSGMSA-N
XLogP4.84
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.84
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 135881484
CID 135881484
CID 135924633
CID 135924633
CID 135924634
CID 135924634
CID 135924635
CID 135924635
CID 135924639
CID 135924639
CID 135924640
CID 135924640
CID 135924641
CID 135924641
CID 135924642
CID 135924642
CID 135924643
CID 135924643
CID 135924644
CID 135924644
CID 135924645
CID 135924645
CID 135924646
CID 135924646

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminoacetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminoacetamide (CID 1216112) is 2-(2,4-dimethylphenoxy)-N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminoacetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminoacetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminoacetamide is C=CCn1c(O)c(/N=N/C(=O)COc2ccc(C)cc2C)c2ccccc21.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminoacetamide?
The InChIKey is UGRIIFBSHZTSNO-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-4-11-24-17-8-6-5-7-16(17)20(21(24)26)23-22-19(25)13-27-18-10-9-14(2)12-15(18)3/h4-10,12,26H,1,11,13H2,2-3H3/b23-22+.
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminoacetamide?
2-(2,4-dimethylphenoxy)-N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminoacetamide has a molecular weight of 363.42 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminoacetamide is sourced from PubChem (CID 1216112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).