2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide

C20H19N3O2 — CID 5395321

IUPAC2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
SMILESCn1cccc1CC(=O)N/N=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H19N3O2/c1-23-12-6-8-17(23)14-20(24)22-21-15-16-7-5-11-19(13-16)25-18-9-3-2-4-10-18/h2-13,15H,14H2,1H3,(H,22,24)/b21-15-
InChIKeySISOJJGGGDSXAR-QNGOZBTKSA-N
MW333.39 g/mol
LogP3.51
Rot. Bonds6

About 2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide

2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide (PubChem CID 5395321) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
PubChem CID5395321
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
SMILESCn1cccc1CC(=O)N/N=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H19N3O2/c1-23-12-6-8-17(23)14-20(24)22-21-15-16-7-5-11-19(13-16)25-18-9-3-2-4-10-18/h2-13,15H,14H2,1H3,(H,22,24)/b21-15-
InChIKeySISOJJGGGDSXAR-QNGOZBTKSA-N
XLogP3.51
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
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-(1-methylpyrrol-2-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5395300
2-(1-methylpyrrol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6867447
N-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 697334
2-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 5342159
N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929862
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 110337161
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 92511340
2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide
CID 4537555
N-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 4617728
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 135684764
N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide
CID 6103947

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide (CID 5395321) is 2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is Cn1cccc1CC(=O)N/N=C\c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide?
The InChIKey is SISOJJGGGDSXAR-QNGOZBTKSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23-12-6-8-17(23)14-20(24)22-21-15-16-7-5-11-19(13-16)25-18-9-3-2-4-10-18/h2-13,15H,14H2,1H3,(H,22,24)/b21-15-.
What are the key properties of 2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide?
2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide has a molecular weight of 333.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5395321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).