N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide

C14H14N2O3 — CID 4923111

IUPACN-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NN=Cc2ccoc2)c1
InChIInChI=1S/C14H14N2O3/c1-11-3-2-4-13(7-11)19-10-14(17)16-15-8-12-5-6-18-9-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyWKHAHDVBKSKCQR-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.12
Rot. Bonds5

About N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide

N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide (PubChem CID 4923111) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide
PubChem CID4923111
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NN=Cc2ccoc2)c1
InChIInChI=1S/C14H14N2O3/c1-11-3-2-4-13(7-11)19-10-14(17)16-15-8-12-5-6-18-9-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyWKHAHDVBKSKCQR-UHFFFAOYSA-N
XLogP2.12
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.12
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-[(4-ethoxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 689841
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910962
N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 833030
2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 968439
2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 968480
2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide
CID 4038788
2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 6908162
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910954
2-(3-methylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924430
2-(3-methylphenoxy)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6231780
2-(3-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 947703

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide (CID 4923111) is N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NN=Cc2ccoc2)c1.
What is the InChIKey of N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide?
The InChIKey is WKHAHDVBKSKCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-11-3-2-4-13(7-11)19-10-14(17)16-15-8-12-5-6-18-9-12/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide?
N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide has a molecular weight of 258.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 4923111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).