N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide

C21H20N4O3 — CID 4590770

IUPACN-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide
SMILESCC(=NNC(=O)c1ccc(-n2cccc2)cc1)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C21H20N4O3/c1-15(16-6-10-19(11-7-16)28-14-20(22)26)23-24-21(27)17-4-8-18(9-5-17)25-12-2-3-13-25/h2-13H,14H2,1H3,(H2,22,26)(H,24,27)
InChIKeyLFQSEVZKGMSGBT-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.50
Rot. Bonds7

About N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide

N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide (PubChem CID 4590770) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide
PubChem CID4590770
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide
SMILESCC(=NNC(=O)c1ccc(-n2cccc2)cc1)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C21H20N4O3/c1-15(16-6-10-19(11-7-16)28-14-20(22)26)23-24-21(27)17-4-8-18(9-5-17)25-12-2-3-13-25/h2-13H,14H2,1H3,(H2,22,26)(H,24,27)
InChIKeyLFQSEVZKGMSGBT-UHFFFAOYSA-N
XLogP2.50
TPSA98.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 5412321
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 136690135
[4-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] benzoate
CID 19659089
N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-ethylthiophene-3-carboxamide
CID 17126701
N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide
CID 6009222
N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide
CID 3606783
N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6377891
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 135554267
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]benzamide
CID 9058750
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide (CID 4590770) is N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide is CC(=NNC(=O)c1ccc(-n2cccc2)cc1)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide?
The InChIKey is LFQSEVZKGMSGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-15(16-6-10-19(11-7-16)28-14-20(22)26)23-24-21(27)17-4-8-18(9-5-17)25-12-2-3-13-25/h2-13H,14H2,1H3,(H2,22,26)(H,24,27).
What are the key properties of N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide?
N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide has a molecular weight of 376.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 4590770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).