N-(furan-2-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide

C16H18N2O3 — CID 758225

IUPACN-(furan-2-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)NN=Cc2ccco2)cc1
InChIInChI=1S/C16H18N2O3/c1-20-14-9-7-13(8-10-14)4-2-6-16(19)18-17-12-15-5-3-11-21-15/h3,5,7-12H,2,4,6H2,1H3,(H,18,19)
InChIKeyWAWFISNKDHNLBD-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.76
Rot. Bonds7

About N-(furan-2-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide

N-(furan-2-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide (PubChem CID 758225) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide
PubChem CID758225
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(furan-2-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)NN=Cc2ccco2)cc1
InChIInChI=1S/C16H18N2O3/c1-20-14-9-7-13(8-10-14)4-2-6-16(19)18-17-12-15-5-3-11-21-15/h3,5,7-12H,2,4,6H2,1H3,(H,18,19)
InChIKeyWAWFISNKDHNLBD-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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'-(2-Furylmethylene)-4-methoxybenzohydrazide
CID 7290584
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbenzamide
CID 5332293
4-(benzyloxy)-N'-[(E)-phenylmethylidene]benzohydrazide
CID 9598505
N'-(2-Furylmethylene)hexanohydrazide
CID 9660383
5-Phenyl-2-furaldehyde semicarbazone
CID 6862724
N'-(2-Furylmethylene)-4-hydroxybenzohydrazide
CID 6870761
(E)-N'-(4-(benzyloxy)benzylidene)furan-2-carbohydrazide
CID 6880344
(E)-3-Furan-2-yl-acrylic acid 4-(methoxycarbonyl-hydrazonomethyl)-phenyl ester
CID 6883314
N-[(E)-furan-2-ylmethylideneamino]-3-(4-propoxyphenyl)propanamide
CID 6888502
3-(4-butoxyphenyl)-N-[(E)-furan-2-ylmethylideneamino]propanamide
CID 6889021
N'-[(E)-furan-2-ylmethylidene]-2-hydroxy-2-phenylacetohydrazide
CID 9566638
Phenyl-acetic acid (2-allyloxy-benzylidene)-hydrazide
CID 9593809

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide (CID 758225) is N-(furan-2-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide is COc1ccc(CCCC(=O)NN=Cc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide?
The InChIKey is WAWFISNKDHNLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-14-9-7-13(8-10-14)4-2-6-16(19)18-17-12-15-5-3-11-21-15/h3,5,7-12H,2,4,6H2,1H3,(H,18,19).
What are the key properties of N-(furan-2-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide?
N-(furan-2-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide has a molecular weight of 286.33 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-4-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 758225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).