N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide

C16H19N3O3 — CID 135821432

IUPACN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCCOc1cc(/C=N/NC(=O)Cc2cccn2C)ccc1O
InChIInChI=1S/C16H19N3O3/c1-3-22-15-9-12(6-7-14(15)20)11-17-18-16(21)10-13-5-4-8-19(13)2/h4-9,11,20H,3,10H2,1-2H3,(H,18,21)/b17-11+
InChIKeyWTYQHOQRDPWUHA-GZTJUZNOSA-N
MW301.35 g/mol
LogP1.82
Rot. Bonds6

About N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide

N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide (PubChem CID 135821432) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
PubChem CID135821432
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCCOc1cc(/C=N/NC(=O)Cc2cccn2C)ccc1O
InChIInChI=1S/C16H19N3O3/c1-3-22-15-9-12(6-7-14(15)20)11-17-18-16(21)10-13-5-4-8-19(13)2/h4-9,11,20H,3,10H2,1-2H3,(H,18,21)/b17-11+
InChIKeyWTYQHOQRDPWUHA-GZTJUZNOSA-N
XLogP1.82
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-(4'-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide (3g)
CID 135412163
N'-(3-Ethoxy-2-hydroxybenzylidene)nicotinohydrazide
CID 135533166
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 135642283
N'-[(E)-(3-hydroxy-4-methoxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 6898622
2-(3,4-diethoxyphenyl)-N'-[(1E)-1-(pyridin-3-yl)ethylidene]acetohydrazide
CID 25237316
N'-[(E,2E)-3-(2-methoxyphenyl)-2-propenylidene]-2-(1-methyl-1H-pyrrol-2-yl)acetohydrazide
CID 6900062
6-{4-[3-((R)-2-Methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-4-pyridin-2-yl-2H-pyridazin-3-one
CID 24994744
6-{4-[3-((R)-2-Methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-4-pyridin-2-yl-4,5-dihydro-2H-pyridazin-3-one
CID 57402850
N'-(3-ethoxy-4-hydroxybenzylidene)isonicotinohydrazide
CID 135642244
2-(3,4-dimethylphenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 6881488
3-(9H-carbazol-9-yl)-N'-(3-hydroxy-4-methoxybenzylidene)propanohydrazide
CID 6865680
2-(4-methylphenoxy)-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
CID 6886017

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide (CID 135821432) is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide is CCOc1cc(/C=N/NC(=O)Cc2cccn2C)ccc1O.
What is the InChIKey of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The InChIKey is WTYQHOQRDPWUHA-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-22-15-9-12(6-7-14(15)20)11-17-18-16(21)10-13-5-4-8-19(13)2/h4-9,11,20H,3,10H2,1-2H3,(H,18,21)/b17-11+.
What are the key properties of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide is sourced from PubChem (CID 135821432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).