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

C16H19N3O2 — CID 697334

IUPACN-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCCOc1ccc(C=NNC(=O)Cc2cccn2C)cc1
InChIInChI=1S/C16H19N3O2/c1-3-21-15-8-6-13(7-9-15)12-17-18-16(20)11-14-5-4-10-19(14)2/h4-10,12H,3,11H2,1-2H3,(H,18,20)
InChIKeyZAQPMQSOMITXMO-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.12
Rot. Bonds6

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

N-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide (PubChem CID 697334) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
PubChem CID697334
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCCOc1ccc(C=NNC(=O)Cc2cccn2C)cc1
InChIInChI=1S/C16H19N3O2/c1-3-21-15-8-6-13(7-9-15)12-17-18-16(20)11-14-5-4-10-19(14)2/h4-10,12H,3,11H2,1-2H3,(H,18,20)
InChIKeyZAQPMQSOMITXMO-UHFFFAOYSA-N
XLogP2.12
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.12
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-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6867447
N-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 4617728
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 5420756
2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 5395321
2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 17141081
N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 792193
2-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 5342159
2-cyano-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 2806400
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410677
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410676
2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5395300

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide (CID 697334) is N-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide is CCOc1ccc(C=NNC(=O)Cc2cccn2C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The InChIKey is ZAQPMQSOMITXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-21-15-8-6-13(7-9-15)12-17-18-16(20)11-14-5-4-10-19(14)2/h4-10,12H,3,11H2,1-2H3,(H,18,20).
What are the key properties of N-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
N-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide is sourced from PubChem (CID 697334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).