N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide

C16H18N2O3 — CID 6131731

IUPACN-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1cccc(/C(C)=N\NC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C16H18N2O3/c1-10-8-15(12(3)21-10)16(19)18-17-11(2)13-6-5-7-14(9-13)20-4/h5-9H,1-4H3,(H,18,19)/b17-11-
InChIKeyIISNLCHAZVPRBT-BOPFTXTBSA-N
MW286.33 g/mol
LogP3.06
Rot. Bonds4

About N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 6131731) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID6131731
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1cccc(/C(C)=N\NC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C16H18N2O3/c1-10-8-15(12(3)21-10)16(19)18-17-11(2)13-6-5-7-14(9-13)20-4/h5-9H,1-4H3,(H,18,19)/b17-11-
InChIKeyIISNLCHAZVPRBT-BOPFTXTBSA-N
XLogP3.06
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.06
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-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 46799495
3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide
CID 8518516
[1-(3-methoxyphenyl)ethylideneamino]urea
CID 3676916
2-hydroxy-4-methoxy-N-[(Z)-1-phenylethylideneamino]benzamide
CID 126396445
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135635825
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide
CID 5076368
N-[1-(3-methoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 4185393
N-[(2,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760422
2-chloro-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]benzamide
CID 6156048

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 6131731) is N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide is COc1cccc(/C(C)=N\NC(=O)c2cc(C)oc2C)c1.
What is the InChIKey of N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is IISNLCHAZVPRBT-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-8-15(12(3)21-10)16(19)18-17-11(2)13-6-5-7-14(9-13)20-4/h5-9H,1-4H3,(H,18,19)/b17-11-.
What are the key properties of N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 6131731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).