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

C15H14N4O2 — CID 42995448

IUPAC2-(4-cyanophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
SMILESCn1cccc1/C=N/NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C15H14N4O2/c1-19-8-2-3-13(19)10-17-18-15(20)11-21-14-6-4-12(9-16)5-7-14/h2-8,10H,11H2,1H3,(H,18,20)/b17-10+
InChIKeyMWXSCEUJIKIVTJ-LICLKQGHSA-N
MW282.30 g/mol
LogP1.43
Rot. Bonds5

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

2-(4-cyanophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide (PubChem CID 42995448) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
PubChem CID42995448
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-(4-cyanophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
SMILESCn1cccc1/C=N/NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C15H14N4O2/c1-19-8-2-3-13(19)10-17-18-15(20)11-21-14-6-4-12(9-16)5-7-14/h2-8,10H,11H2,1H3,(H,18,20)/b17-10+
InChIKeyMWXSCEUJIKIVTJ-LICLKQGHSA-N
XLogP1.43
TPSA79.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', '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

2-(3-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 947703
2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 5398283
N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide
CID 45123007
N-[(E)-(2-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 42992144
2-[4-(4-cyanophenyl)phenoxy]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 42992132
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 7326687
N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126028192
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide
CID 9316542
N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 42992119
N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 833030
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910962
2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide
CID 2431577

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide (CID 42995448) is 2-(4-cyanophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide is Cn1cccc1/C=N/NC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
The InChIKey is MWXSCEUJIKIVTJ-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-19-8-2-3-13(19)10-17-18-15(20)11-21-14-6-4-12(9-16)5-7-14/h2-8,10H,11H2,1H3,(H,18,20)/b17-10+.
What are the key properties of 2-(4-cyanophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
2-(4-cyanophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide has a molecular weight of 282.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 42995448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).