N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide

C18H20N2O3 — CID 3749870

IUPACN-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NN=CC(C)=Cc2ccco2)cc1
InChIInChI=1S/C18H20N2O3/c1-3-10-22-16-8-6-15(7-9-16)18(21)20-19-13-14(2)12-17-5-4-11-23-17/h4-9,11-13H,3,10H2,1-2H3,(H,20,21)
InChIKeyRPUBJESXJFFJMS-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.89
Rot. Bonds7

About N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide

N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide (PubChem CID 3749870) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide
PubChem CID3749870
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NN=CC(C)=Cc2ccco2)cc1
InChIInChI=1S/C18H20N2O3/c1-3-10-22-16-8-6-15(7-9-16)18(21)20-19-13-14(2)12-17-5-4-11-23-17/h4-9,11-13H,3,10H2,1-2H3,(H,20,21)
InChIKeyRPUBJESXJFFJMS-UHFFFAOYSA-N
XLogP3.89
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.89
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-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide
CID 4927464
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
(2S)-2-(4-chlorophenoxy)-N-[[(Z)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]propanamide
CID 129437784
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide
CID 75087446
N-[(E)-furan-2-ylmethylideneamino]-4-phenoxybenzamide
CID 166606480
N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92659049
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide
CID 75610197
N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide
CID 5416550
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide?
The IUPAC name of N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide (CID 3749870) is N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide.
What is the SMILES notation for N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide?
The canonical SMILES for N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide is CCCOc1ccc(C(=O)NN=CC(C)=Cc2ccco2)cc1.
What is the InChIKey of N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide?
The InChIKey is RPUBJESXJFFJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-10-22-16-8-6-15(7-9-16)18(21)20-19-13-14(2)12-17-5-4-11-23-17/h4-9,11-13H,3,10H2,1-2H3,(H,20,21).
What are the key properties of N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide?
N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide has a molecular weight of 312.37 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-4-propoxybenzamide is sourced from PubChem (CID 3749870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).