5-[(4-propylphenoxy)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]furan-2-carboxamide

C25H28N2O6 — CID 6874738

IUPAC5-[(4-propylphenoxy)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCCCc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(OC)c(OC)c3OC)o2)cc1
InChIInChI=1S/C25H28N2O6/c1-5-6-17-7-10-19(11-8-17)32-16-20-12-14-22(33-20)25(28)27-26-15-18-9-13-21(29-2)24(31-4)23(18)30-3/h7-15H,5-6,16H2,1-4H3,(H,27,28)/b26-15+
InChIKeyCNVWSWHXHHIUTB-CVKSISIWSA-N
MW452.51 g/mol
LogP4.60
Rot. Bonds11

About 5-[(4-propylphenoxy)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]furan-2-carboxamide

5-[(4-propylphenoxy)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 6874738) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is 5-[(4-propylphenoxy)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-propylphenoxy)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID6874738
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC Name5-[(4-propylphenoxy)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCCCc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(OC)c(OC)c3OC)o2)cc1
InChIInChI=1S/C25H28N2O6/c1-5-6-17-7-10-19(11-8-17)32-16-20-12-14-22(33-20)25(28)27-26-15-18-9-13-21(29-2)24(31-4)23(18)30-3/h7-15H,5-6,16H2,1-4H3,(H,27,28)/b26-15+
InChIKeyCNVWSWHXHHIUTB-CVKSISIWSA-N
XLogP4.60
TPSA91.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide
CID 6874482
2-[2-[[[5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
CID 126404689
5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide
CID 6874399
5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]-N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]furan-2-carboxamide
CID 124548349
N-methyl-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
CID 19454672
[4-chloro-2-[[[5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenyl] acetate
CID 126409194
N-[[2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126405988
N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126405830
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126404964
N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126407205
N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide
CID 135729375
N-[[2-[(4-bromophenyl)methoxy]-5-chloro-3-methoxyphenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126411675

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propylphenoxy)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-[(4-propylphenoxy)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]furan-2-carboxamide (CID 6874738) is 5-[(4-propylphenoxy)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-propylphenoxy)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-[(4-propylphenoxy)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]furan-2-carboxamide is CCCc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(OC)c(OC)c3OC)o2)cc1.
What is the InChIKey of 5-[(4-propylphenoxy)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is CNVWSWHXHHIUTB-CVKSISIWSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-5-6-17-7-10-19(11-8-17)32-16-20-12-14-22(33-20)25(28)27-26-15-18-9-13-21(29-2)24(31-4)23(18)30-3/h7-15H,5-6,16H2,1-4H3,(H,27,28)/b26-15+.
What are the key properties of 5-[(4-propylphenoxy)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]furan-2-carboxamide?
5-[(4-propylphenoxy)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 4.60, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propylphenoxy)methyl]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6874738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).