5-(anilinomethyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]furan-2-carboxamide

C20H19N3O3 — CID 5424653

IUPAC5-(anilinomethyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(CNc3ccccc3)o2)cc1
InChIInChI=1S/C20H19N3O3/c1-25-17-9-7-15(8-10-17)13-22-23-20(24)19-12-11-18(26-19)14-21-16-5-3-2-4-6-16/h2-13,21H,14H2,1H3,(H,23,24)/b22-13-
InChIKeyQZKPMPVMZHKODS-XKZIYDEJSA-N
MW349.39 g/mol
LogP3.66
Rot. Bonds7

About 5-(anilinomethyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]furan-2-carboxamide

5-(anilinomethyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 5424653) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-(anilinomethyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-(anilinomethyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID5424653
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name5-(anilinomethyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(CNc3ccccc3)o2)cc1
InChIInChI=1S/C20H19N3O3/c1-25-17-9-7-15(8-10-17)13-22-23-20(24)19-12-11-18(26-19)14-21-16-5-3-2-4-6-16/h2-13,21H,14H2,1H3,(H,23,24)/b22-13-
InChIKeyQZKPMPVMZHKODS-XKZIYDEJSA-N
XLogP3.66
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.66
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

4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-(4-nitrophenyl)furan-2-carboxamide
CID 53327660
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid
CID 63317279
benzyl N-[(Z)-(4-methoxyphenyl)methylideneamino]carbamate
CID 6091794
5-[(4-propan-2-yloxyanilino)methyl]furan-2-carboxylic acid
CID 63316777
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
1-(benzylideneamino)-3-(4-methoxyphenyl)urea
CID 154302769
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110527260

Frequently Asked Questions

What is the IUPAC name of 5-(anilinomethyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-(anilinomethyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]furan-2-carboxamide (CID 5424653) is 5-(anilinomethyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-(anilinomethyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-(anilinomethyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]furan-2-carboxamide is COc1ccc(/C=N\NC(=O)c2ccc(CNc3ccccc3)o2)cc1.
What is the InChIKey of 5-(anilinomethyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is QZKPMPVMZHKODS-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-17-9-7-15(8-10-17)13-22-23-20(24)19-12-11-18(26-19)14-21-16-5-3-2-4-6-16/h2-13,21H,14H2,1H3,(H,23,24)/b22-13-.
What are the key properties of 5-(anilinomethyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]furan-2-carboxamide?
5-(anilinomethyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(anilinomethyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 5424653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).