2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide

C18H24N4O2 — CID 50854027

IUPAC2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide
SMILESCC(C)n1ccc(/C=N/NC(=O)COc2cccc(N(C)C)c2)c1
InChIInChI=1S/C18H24N4O2/c1-14(2)22-9-8-15(12-22)11-19-20-18(23)13-24-17-7-5-6-16(10-17)21(3)4/h5-12,14H,13H2,1-4H3,(H,20,23)/b19-11+
InChIKeyZYEVELBICCGXQF-YBFXNURJSA-N
MW328.42 g/mol
LogP2.66
Rot. Bonds7

About 2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide

2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide (PubChem CID 50854027) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide
PubChem CID50854027
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide
SMILESCC(C)n1ccc(/C=N/NC(=O)COc2cccc(N(C)C)c2)c1
InChIInChI=1S/C18H24N4O2/c1-14(2)22-9-8-15(12-22)11-19-20-18(23)13-24-17-7-5-6-16(10-17)21(3)4/h5-12,14H,13H2,1-4H3,(H,20,23)/b19-11+
InChIKeyZYEVELBICCGXQF-YBFXNURJSA-N
XLogP2.66
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide
CID 50854108
2-[3-(dimethylamino)phenoxy]-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 137080274
3-[2-[(E)-[[2-[3-(dimethylamino)phenoxy]acetyl]hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
CID 126106901
4-[[4-[(E)-[[2-[3-(dimethylamino)phenoxy]acetyl]hydrazinylidene]methyl]-2,6-diiodophenoxy]methyl]benzoic acid
CID 126005757
2-[3-(dimethylamino)phenoxy]-N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 4234237
2-[3-(dimethylamino)phenoxy]-N-[(E)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 124553498
methyl 5-[[3-[(E)-[[2-[3-(dimethylamino)phenoxy]acetyl]hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylate
CID 126394867
N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide
CID 4923111
2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide
CID 50854100
2-(3-chlorophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide
CID 50854147
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208653
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide (CID 50854027) is 2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide is CC(C)n1ccc(/C=N/NC(=O)COc2cccc(N(C)C)c2)c1.
What is the InChIKey of 2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide?
The InChIKey is ZYEVELBICCGXQF-YBFXNURJSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(2)22-9-8-15(12-22)11-19-20-18(23)13-24-17-7-5-6-16(10-17)21(3)4/h5-12,14H,13H2,1-4H3,(H,20,23)/b19-11+.
What are the key properties of 2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide?
2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide has a molecular weight of 328.42 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)phenoxy]-N-[(E)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 50854027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).