2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide

C17H18N2O4 — CID 4027245

IUPAC2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide
SMILESCOc1ccc(CC(=O)NN=CC=Cc2ccco2)cc1OC
InChIInChI=1S/C17H18N2O4/c1-21-15-8-7-13(11-16(15)22-2)12-17(20)19-18-9-3-5-14-6-4-10-23-14/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyLBLRZKBAOSUSMF-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.65
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide

2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide (PubChem CID 4027245) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide
PubChem CID4027245
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide
SMILESCOc1ccc(CC(=O)NN=CC=Cc2ccco2)cc1OC
InChIInChI=1S/C17H18N2O4/c1-21-15-8-7-13(11-16(15)22-2)12-17(20)19-18-9-3-5-14-6-4-10-23-14/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyLBLRZKBAOSUSMF-UHFFFAOYSA-N
XLogP2.65
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
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

N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-methoxy-4-methylbenzamide
CID 40989624
N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 6808432
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 129432020
N-[(E)-furan-2-ylmethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 6896656
N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]-2-naphthalen-2-yloxyacetamide
CID 129441481
2-(3,4-dimethoxyphenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 137122723
N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide
CID 6834782
2-(3,4-dimethoxyphenyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135579478
(3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide
CID 6283145
(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 9193821
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide
CID 5369634
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 7914514

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide (CID 4027245) is 2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide is COc1ccc(CC(=O)NN=CC=Cc2ccco2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide?
The InChIKey is LBLRZKBAOSUSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-21-15-8-7-13(11-16(15)22-2)12-17(20)19-18-9-3-5-14-6-4-10-23-14/h3-11H,12H2,1-2H3,(H,19,20).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide?
2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide has a molecular weight of 314.34 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide is sourced from PubChem (CID 4027245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).