N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide

C19H19N3O3 — CID 135729375

IUPACN-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCc1cc(/C=N/NC(=O)c2ccc(COc3ccccc3)o2)c(C)[nH]1
InChIInChI=1S/C19H19N3O3/c1-13-10-15(14(2)21-13)11-20-22-19(23)18-9-8-17(25-18)12-24-16-6-4-3-5-7-16/h3-11,21H,12H2,1-2H3,(H,22,23)/b20-11+
InChIKeyLAYOJJVEQSJUMB-RGVLZGJSSA-N
MW337.38 g/mol
LogP3.57
Rot. Bonds6

About N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide

N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 135729375) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID135729375
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCc1cc(/C=N/NC(=O)c2ccc(COc3ccccc3)o2)c(C)[nH]1
InChIInChI=1S/C19H19N3O3/c1-13-10-15(14(2)21-13)11-20-22-19(23)18-9-8-17(25-18)12-24-16-6-4-3-5-7-16/h3-11,21H,12H2,1-2H3,(H,22,23)/b20-11+
InChIKeyLAYOJJVEQSJUMB-RGVLZGJSSA-N
XLogP3.57
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
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

4-[(4-chlorophenoxy)methyl]-N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]benzamide
CID 135729204
5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 126409092
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]-N-[(E)-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide
CID 126413765
5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]-N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]furan-2-carboxamide
CID 124548349
N-[(E)-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126410765
N-[[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 3679410
2-[3-[(E)-[[5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carbonyl]hydrazinylidene]methyl]indol-1-yl]acetic acid
CID 126408968
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 3343727
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 135842522
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126407205

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide (CID 135729375) is N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide is Cc1cc(/C=N/NC(=O)c2ccc(COc3ccccc3)o2)c(C)[nH]1.
What is the InChIKey of N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is LAYOJJVEQSJUMB-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-10-15(14(2)21-13)11-20-22-19(23)18-9-8-17(25-18)12-24-16-6-4-3-5-7-16/h3-11,21H,12H2,1-2H3,(H,22,23)/b20-11+.
What are the key properties of N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide?
N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 135729375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).