2-(1-methylpyrrol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide

C21H21N3O2 — CID 6867447

IUPAC2-(1-methylpyrrol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCn1cccc1CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H21N3O2/c1-24-13-5-8-19(24)14-21(25)23-22-15-17-9-11-20(12-10-17)26-16-18-6-3-2-4-7-18/h2-13,15H,14,16H2,1H3,(H,23,25)/b22-15+
InChIKeyCZSDBVFTWJNMMD-PXLXIMEGSA-N
MW347.42 g/mol
LogP3.30
Rot. Bonds7

About 2-(1-methylpyrrol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide

2-(1-methylpyrrol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 6867447) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID6867447
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-(1-methylpyrrol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCn1cccc1CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H21N3O2/c1-24-13-5-8-19(24)14-21(25)23-22-15-17-9-11-20(12-10-17)26-16-18-6-3-2-4-7-18/h2-13,15H,14,16H2,1H3,(H,23,25)/b22-15+
InChIKeyCZSDBVFTWJNMMD-PXLXIMEGSA-N
XLogP3.30
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.30
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

N-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 697334
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296
2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 5395321
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563
N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 6167073
N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3990065
2-[(2-methylphenyl)methylsulfanyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6288693

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide (CID 6867447) is 2-(1-methylpyrrol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is Cn1cccc1CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is CZSDBVFTWJNMMD-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-24-13-5-8-19(24)14-21(25)23-22-15-17-9-11-20(12-10-17)26-16-18-6-3-2-4-7-18/h2-13,15H,14,16H2,1H3,(H,23,25)/b22-15+.
What are the key properties of 2-(1-methylpyrrol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(1-methylpyrrol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.30, 7 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-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6867447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).