N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide

C24H20N2O4 — CID 135725831

IUPACN-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccc(COc2ccccc2)o1)c1ccc2ccccc2c1O
InChIInChI=1S/C24H20N2O4/c1-16(20-13-11-17-7-5-6-10-21(17)23(20)27)25-26-24(28)22-14-12-19(30-22)15-29-18-8-3-2-4-9-18/h2-14,27H,15H2,1H3,(H,26,28)/b25-16+
InChIKeyFRKYMGXDHYJPTL-PCLIKHOPSA-N
MW400.43 g/mol
LogP4.87
Rot. Bonds6

About N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide

N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 135725831) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID135725831
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC NameN-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccc(COc2ccccc2)o1)c1ccc2ccccc2c1O
InChIInChI=1S/C24H20N2O4/c1-16(20-13-11-17-7-5-6-10-21(17)23(20)27)25-26-24(28)22-14-12-19(30-22)15-29-18-8-3-2-4-9-18/h2-14,27H,15H2,1H3,(H,26,28)/b25-16+
InChIKeyFRKYMGXDHYJPTL-PCLIKHOPSA-N
XLogP4.87
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

2-hydroxy-N-[(Z)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135887717
3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135673825
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
2-methyl-N-[4-[(Z)-C-methyl-N-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]carbonimidoyl]phenyl]furan-3-carboxamide
CID 28824211
N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]ethanethioamide;N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-4-methylbenzamide;methane
CID 172984079
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257
N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide
CID 9219810
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 4038488
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide (CID 135725831) is N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide is C/C(=N\NC(=O)c1ccc(COc2ccccc2)o1)c1ccc2ccccc2c1O.
What is the InChIKey of N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is FRKYMGXDHYJPTL-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-16(20-13-11-17-7-5-6-10-21(17)23(20)27)25-26-24(28)22-14-12-19(30-22)15-29-18-8-3-2-4-9-18/h2-14,27H,15H2,1H3,(H,26,28)/b25-16+.
What are the key properties of N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide?
N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 135725831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).