2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide

C18H23N3O2 — CID 135710565

IUPAC2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1c(C)cccc1C)c1c(C)c[nH]c1C
InChIInChI=1S/C18H23N3O2/c1-11-7-6-8-12(2)18(11)23-10-16(22)21-20-15(5)17-13(3)9-19-14(17)4/h6-9,19H,10H2,1-5H3,(H,21,22)/b20-15+
InChIKeyBGXMGUHVWDSXHH-HMMYKYKNSA-N
MW313.40 g/mol
LogP3.17
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide

2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide (PubChem CID 135710565) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide
PubChem CID135710565
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1c(C)cccc1C)c1c(C)c[nH]c1C
InChIInChI=1S/C18H23N3O2/c1-11-7-6-8-12(2)18(11)23-10-16(22)21-20-15(5)17-13(3)9-19-14(17)4/h6-9,19H,10H2,1-5H3,(H,21,22)/b20-15+
InChIKeyBGXMGUHVWDSXHH-HMMYKYKNSA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.17
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

N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(4-ethylphenoxy)acetamide
CID 135722958
2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
CID 763872
5-[(Z)-N-[[2-(2,6-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8860547
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 909276
N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 135574173
2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide
CID 4599230
2-(2,6-dimethylphenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 135588975
2-(2,6-dimethylphenoxy)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 136661504
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 5403335
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide
CID 38448955
2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3296653

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide (CID 135710565) is 2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide is C/C(=N\NC(=O)COc1c(C)cccc1C)c1c(C)c[nH]c1C.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide?
The InChIKey is BGXMGUHVWDSXHH-HMMYKYKNSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-11-7-6-8-12(2)18(11)23-10-16(22)21-20-15(5)17-13(3)9-19-14(17)4/h6-9,19H,10H2,1-5H3,(H,21,22)/b20-15+.
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide?
2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide is sourced from PubChem (CID 135710565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).