2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide

C14H15N3O3 — CID 922208

IUPAC2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
SMILESCOc1ccccc1OCC(=O)NN=Cc1ccc[nH]1
InChIInChI=1S/C14H15N3O3/c1-19-12-6-2-3-7-13(12)20-10-14(18)17-16-9-11-5-4-8-15-11/h2-9,15H,10H2,1H3,(H,17,18)
InChIKeyGNVMSFRYPNYULN-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.55
Rot. Bonds6

About 2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide

2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide (PubChem CID 922208) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
PubChem CID922208
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
SMILESCOc1ccccc1OCC(=O)NN=Cc1ccc[nH]1
InChIInChI=1S/C14H15N3O3/c1-19-12-6-2-3-7-13(12)20-10-14(18)17-16-9-11-5-4-8-15-11/h2-9,15H,10H2,1H3,(H,17,18)
InChIKeyGNVMSFRYPNYULN-UHFFFAOYSA-N
XLogP1.55
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
CID 914097
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
N-(1H-pyrrol-2-ylmethylideneamino)-2-(2,4,6-trichlorophenoxy)acetamide
CID 137139966
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
CID 135999136
2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 135560401
2-(2-tert-butyl-5-methylphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
CID 137095239
N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 7602026
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135702128
methyl 2-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9217540
2-(2-methoxyphenoxy)-N-[(E)-(2-propoxyphenyl)methylideneamino]acetamide
CID 6872121
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-N'-[(Z)-1H-pyrrol-2-ylmethylideneamino]butanediamide
CID 136826339

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide (CID 922208) is 2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide is COc1ccccc1OCC(=O)NN=Cc1ccc[nH]1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide?
The InChIKey is GNVMSFRYPNYULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-19-12-6-2-3-7-13(12)20-10-14(18)17-16-9-11-5-4-8-15-11/h2-9,15H,10H2,1H3,(H,17,18).
What are the key properties of 2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide?
2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide has a molecular weight of 273.29 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide is sourced from PubChem (CID 922208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).