N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide

C16H18N2O3 — CID 9175443

IUPACN-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCCCCOc1ccc(/C=N\NC(=O)c2ccco2)cc1
InChIInChI=1S/C16H18N2O3/c1-2-3-10-20-14-8-6-13(7-9-14)12-17-18-16(19)15-5-4-11-21-15/h4-9,11-12H,2-3,10H2,1H3,(H,18,19)/b17-12-
InChIKeySCZFBRARRXWSGO-ATVHPVEESA-N
MW286.33 g/mol
LogP3.22
Rot. Bonds7

About N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide

N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 9175443) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID9175443
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCCCCOc1ccc(/C=N\NC(=O)c2ccco2)cc1
InChIInChI=1S/C16H18N2O3/c1-2-3-10-20-14-8-6-13(7-9-14)12-17-18-16(19)15-5-4-11-21-15/h4-9,11-12H,2-3,10H2,1H3,(H,18,19)/b17-12-
InChIKeySCZFBRARRXWSGO-ATVHPVEESA-N
XLogP3.22
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide
CID 18273469
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 6880344
N-[2-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7032630
N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]furan-2-carboxamide
CID 94833180
N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide
CID 94833642
N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 9074224
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide
CID 7782249
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 7231244
[4-[[(4-butoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 4077367

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide (CID 9175443) is N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide is CCCCOc1ccc(/C=N\NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is SCZFBRARRXWSGO-ATVHPVEESA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-3-10-20-14-8-6-13(7-9-14)12-17-18-16(19)15-5-4-11-21-15/h4-9,11-12H,2-3,10H2,1H3,(H,18,19)/b17-12-.
What are the key properties of N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide?
N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 9175443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).