N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide

C19H24N2O3 — CID 40536060

IUPACN-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide
SMILESCCC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(C)o2)cc1
InChIInChI=1S/C19H24N2O3/c1-4-5-14(2)16-7-10-17(11-8-16)23-13-19(22)21-20-12-18-9-6-15(3)24-18/h6-12,14H,4-5,13H2,1-3H3,(H,21,22)/b20-12-/t14-/m1/s1
InChIKeyTZNJPHFGOQHTKG-FAPYRAKZSA-N
MW328.41 g/mol
LogP4.02
Rot. Bonds8

About N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide

N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide (PubChem CID 40536060) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide
PubChem CID40536060
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide
SMILESCCC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(C)o2)cc1
InChIInChI=1S/C19H24N2O3/c1-4-5-14(2)16-7-10-17(11-8-16)23-13-19(22)21-20-12-18-9-6-15(3)24-18/h6-12,14H,4-5,13H2,1-3H3,(H,21,22)/b20-12-/t14-/m1/s1
InChIKeyTZNJPHFGOQHTKG-FAPYRAKZSA-N
XLogP4.02
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.02
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-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 913599
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide
CID 5499286
2-[4-[(2S)-butan-2-yl]phenoxy]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 7355336
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]acetamide
CID 41338895
2-[4-[(2S)-butan-2-yl]phenoxy]-N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 41338902
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5441397
N-[(5-methylfuran-2-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 758393
N-[(5-methylfuran-2-yl)methylideneamino]decanamide
CID 4150457
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 42991542
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19169667
4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4927427
2-(4-butan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 4923323

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide?
The IUPAC name of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide (CID 40536060) is N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide.
What is the SMILES notation for N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide?
The canonical SMILES for N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide is CCC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(C)o2)cc1.
What is the InChIKey of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide?
The InChIKey is TZNJPHFGOQHTKG-FAPYRAKZSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-5-14(2)16-7-10-17(11-8-16)23-13-19(22)21-20-12-18-9-6-15(3)24-18/h6-12,14H,4-5,13H2,1-3H3,(H,21,22)/b20-12-/t14-/m1/s1.
What are the key properties of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide?
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide has a molecular weight of 328.41 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide is sourced from PubChem (CID 40536060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).