N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide

C26H22N2O4 — CID 2336578

IUPACN-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide
SMILESO=C(NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccco1
InChIInChI=1S/C26H22N2O4/c29-26(24-12-7-15-30-24)28-27-17-22-13-14-23(31-18-20-8-3-1-4-9-20)25(16-22)32-19-21-10-5-2-6-11-21/h1-17H,18-19H2,(H,28,29)
InChIKeyYPQSXPUADVDZBN-UHFFFAOYSA-N
MW426.47 g/mol
LogP5.20
Rot. Bonds9

About N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide

N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide (PubChem CID 2336578) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide
PubChem CID2336578
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC NameN-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide
SMILESO=C(NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccco1
InChIInChI=1S/C26H22N2O4/c29-26(24-12-7-15-30-24)28-27-17-22-13-14-23(31-18-20-8-3-1-4-9-20)25(16-22)32-19-21-10-5-2-6-11-21/h1-17H,18-19H2,(H,28,29)
InChIKeyYPQSXPUADVDZBN-UHFFFAOYSA-N
XLogP5.20
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
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'}

Analyze N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1389238
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]furan-2-carboxamide
CID 21370277
methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate
CID 9175476
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 6880344
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide
CID 94833642
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
CID 6117131
[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea
CID 1267665
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 3663554
N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6885887
N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96885314
N-(furan-2-ylmethyl)-N'-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 9352883
4-[[2-[(furan-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
CID 3874055

Frequently Asked Questions

What is the IUPAC name of N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide (CID 2336578) is N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide is O=C(NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccco1.
What is the InChIKey of N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide?
The InChIKey is YPQSXPUADVDZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c29-26(24-12-7-15-30-24)28-27-17-22-13-14-23(31-18-20-8-3-1-4-9-20)25(16-22)32-19-21-10-5-2-6-11-21/h1-17H,18-19H2,(H,28,29).
What are the key properties of N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide?
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 2336578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).