2-(furan-2-ylmethylcarbamoylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

C16H18N4O5 — CID 135491247

IUPAC2-(furan-2-ylmethylcarbamoylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)CNC(=O)NCc2ccco2)ccc1O
InChIInChI=1S/C16H18N4O5/c1-24-14-7-11(4-5-13(14)21)8-19-20-15(22)10-18-16(23)17-9-12-3-2-6-25-12/h2-8,21H,9-10H2,1H3,(H,20,22)(H2,17,18,23)/b19-8+
InChIKeyVUPGGNLIOAHKPI-UFWORHAWSA-N
MW346.34 g/mol
LogP0.94
Rot. Bonds7

About 2-(furan-2-ylmethylcarbamoylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

2-(furan-2-ylmethylcarbamoylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 135491247) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-(furan-2-ylmethylcarbamoylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylcarbamoylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
PubChem CID135491247
Molecular FormulaC16H18N4O5
Molecular Weight346.34 g/mol
Exact Mass346.13
IUPAC Name2-(furan-2-ylmethylcarbamoylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)CNC(=O)NCc2ccco2)ccc1O
InChIInChI=1S/C16H18N4O5/c1-24-14-7-11(4-5-13(14)21)8-19-20-15(22)10-18-16(23)17-9-12-3-2-6-25-12/h2-8,21H,9-10H2,1H3,(H,20,22)(H2,17,18,23)/b19-8+
InChIKeyVUPGGNLIOAHKPI-UFWORHAWSA-N
XLogP0.94
TPSA125.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-(2-(2-(2-Furylmethylene)hydrazino)-2-oxoethyl)-3,4-dimethoxybenzamide
CID 9603365
3-{[2-(3,4-Dimethoxy-phenyl)-acetyl]-hydrazono}-N-furan-2-ylmethyl-butyramide
CID 9609413
3,4-dimethoxy-N-(2-{2-[(5-methyl-2-furyl)methylene]hydrazino}-2-oxoethyl)benzamide
CID 9691124
2-[(2E)-2-(3-chloro-4-hydroxy-5-methoxybenzylidene)hydrazinyl]-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 135628660
(E)-N-(2-(2-(2-hydroxy-3-methoxybenzylidene)hydrazinyl)-2-oxoethyl)furan-2-carboxamide
CID 135648145
N-(2-furylmethyl)-2-[2-(2-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxoacetamide
CID 135501755
N-(2-{2-[3-(2-furyl)-2-methyl-2-propenylidene]hydrazino}-2-oxoethyl)-3,4-dimethoxybenzamide
CID 9725821
N-(2-furylmethyl)-2-[2-(4-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxoacetamide
CID 135425010
N-{2-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxoethyl}-2-furamide
CID 135439738
2-Cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(2-furylmethyl)acrylamide
CID 733997
2-[N'-(2,3-Dimethoxy-benzylidene)-hydrazino]-N-furan-2-ylmethyl-2-oxo-acetamide
CID 5334191
2-[N'-(3-Allyloxy-benzylidene)-hydrazino]-N-furan-2-ylmethyl-2-oxo-acetamide
CID 5334657

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylcarbamoylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(furan-2-ylmethylcarbamoylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (CID 135491247) is 2-(furan-2-ylmethylcarbamoylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(furan-2-ylmethylcarbamoylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(furan-2-ylmethylcarbamoylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is COc1cc(/C=N/NC(=O)CNC(=O)NCc2ccco2)ccc1O.
What is the InChIKey of 2-(furan-2-ylmethylcarbamoylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is VUPGGNLIOAHKPI-UFWORHAWSA-N. The full InChI is InChI=1S/C16H18N4O5/c1-24-14-7-11(4-5-13(14)21)8-19-20-15(22)10-18-16(23)17-9-12-3-2-6-25-12/h2-8,21H,9-10H2,1H3,(H,20,22)(H2,17,18,23)/b19-8+.
What are the key properties of 2-(furan-2-ylmethylcarbamoylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
2-(furan-2-ylmethylcarbamoylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 346.34 g/mol, XLogP of 0.94, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylcarbamoylamino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135491247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).