N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide

C21H19N3O4 — CID 9175372

IUPACN-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccco1)c1ccc(OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H19N3O4/c1-15(23-24-21(26)19-8-5-13-27-19)16-9-11-18(12-10-16)28-14-20(25)22-17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,22,25)(H,24,26)/b23-15-
InChIKeyXXTJMJPHPYCFRJ-HAHDFKILSA-N
MW377.40 g/mol
LogP3.45
Rot. Bonds7

About N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide

N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide (PubChem CID 9175372) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide
PubChem CID9175372
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccco1)c1ccc(OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H19N3O4/c1-15(23-24-21(26)19-8-5-13-27-19)16-9-11-18(12-10-16)28-14-20(25)22-17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,22,25)(H,24,26)/b23-15-
InChIKeyXXTJMJPHPYCFRJ-HAHDFKILSA-N
XLogP3.45
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.45
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-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]benzamide
CID 9058750
N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide
CID 6009222
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359242
methyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate
CID 9075161
5-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoic acid
CID 7261370
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 6387299
N-[4-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 6187407
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide
CID 94833180
N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6949118
N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 840435

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide (CID 9175372) is N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide is C/C(=N/NC(=O)c1ccco1)c1ccc(OCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide?
The InChIKey is XXTJMJPHPYCFRJ-HAHDFKILSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-15(23-24-21(26)19-8-5-13-27-19)16-9-11-18(12-10-16)28-14-20(25)22-17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,22,25)(H,24,26)/b23-15-.
What are the key properties of N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide?
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 9175372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).