2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide

C21H20N2O3 — CID 9359637

IUPAC2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H20N2O3/c1-15(22-23-21(24)20-12-13-25-16(20)2)18-8-10-19(11-9-18)26-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,23,24)/b22-15-
InChIKeyAGBRIEPSWWYTCP-JCMHNJIXSA-N
MW348.40 g/mol
LogP4.32
Rot. Bonds6

About 2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide

2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide (PubChem CID 9359637) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide
PubChem CID9359637
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H20N2O3/c1-15(22-23-21(24)20-12-13-25-16(20)2)18-8-10-19(11-9-18)26-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,23,24)/b22-15-
InChIKeyAGBRIEPSWWYTCP-JCMHNJIXSA-N
XLogP4.32
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.32
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

N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030
2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359525
N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933076
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869
2-methyl-N-[4-[(Z)-C-methyl-N-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]furan-3-carboxamide
CID 28824211
2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide
CID 5016586
N-[(E)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 5431788
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
2-(2-methoxyphenoxy)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]acetamide
CID 9315812
N-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 5455528
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide
CID 9175372
N-methyl-4-phenylmethoxybenzamide
CID 2996745

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide (CID 9359637) is 2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide is C/C(=N/NC(=O)c1ccoc1C)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide?
The InChIKey is AGBRIEPSWWYTCP-JCMHNJIXSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15(22-23-21(24)20-12-13-25-16(20)2)18-8-10-19(11-9-18)26-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,23,24)/b22-15-.
What are the key properties of 2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide?
2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide is sourced from PubChem (CID 9359637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).