N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide

C14H14N2O3 — CID 913599

IUPACN-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide
SMILESCc1ccc(C=NNC(=O)COc2ccccc2)o1
InChIInChI=1S/C14H14N2O3/c1-11-7-8-13(19-11)9-15-16-14(17)10-18-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyMTRMTWOTHNRXPY-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.12
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide

N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide (PubChem CID 913599) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide
PubChem CID913599
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide
SMILESCc1ccc(C=NNC(=O)COc2ccccc2)o1
InChIInChI=1S/C14H14N2O3/c1-11-7-8-13(19-11)9-15-16-14(17)10-18-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyMTRMTWOTHNRXPY-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-[(5-methylfuran-2-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 758393
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 42991542
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide
CID 40536060
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 6322955
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5441397
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 45037872
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide
CID 171979033
2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5331243
N-[(E)-ethylideneamino]-2-phenoxyacetamide
CID 6533905

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide (CID 913599) is N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide is Cc1ccc(C=NNC(=O)COc2ccccc2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide?
The InChIKey is MTRMTWOTHNRXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-11-7-8-13(19-11)9-15-16-14(17)10-18-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide?
N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide 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-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide is sourced from PubChem (CID 913599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).