N-[4-[(5-cyanofuran-2-yl)methylamino]-2-methoxyphenyl]acetamide

C15H15N3O3 — CID 115652550

IUPACN-[4-[(5-cyanofuran-2-yl)methylamino]-2-methoxyphenyl]acetamide
SMILESCOc1cc(NCc2ccc(C#N)o2)ccc1NC(C)=O
InChIInChI=1S/C15H15N3O3/c1-10(19)18-14-6-3-11(7-15(14)20-2)17-9-13-5-4-12(8-16)21-13/h3-7,17H,9H2,1-2H3,(H,18,19)
InChIKeyAHENQUJJUNUZSX-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.73
Rot. Bonds5

About N-[4-[(5-cyanofuran-2-yl)methylamino]-2-methoxyphenyl]acetamide

N-[4-[(5-cyanofuran-2-yl)methylamino]-2-methoxyphenyl]acetamide (PubChem CID 115652550) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[4-[(5-cyanofuran-2-yl)methylamino]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-cyanofuran-2-yl)methylamino]-2-methoxyphenyl]acetamide
PubChem CID115652550
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[4-[(5-cyanofuran-2-yl)methylamino]-2-methoxyphenyl]acetamide
SMILESCOc1cc(NCc2ccc(C#N)o2)ccc1NC(C)=O
InChIInChI=1S/C15H15N3O3/c1-10(19)18-14-6-3-11(7-15(14)20-2)17-9-13-5-4-12(8-16)21-13/h3-7,17H,9H2,1-2H3,(H,18,19)
InChIKeyAHENQUJJUNUZSX-UHFFFAOYSA-N
XLogP2.73
TPSA87.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide
CID 115652476
5-[(2-methoxyanilino)methyl]furan-2-carbonitrile
CID 115742740
N-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide
CID 115652546
5-[(3,4-diethoxyanilino)methyl]furan-2-carbonitrile
CID 115671135
N-(4-formamido-2-methoxyphenyl)acetamide
CID 64990664
5-[(5-tert-butyl-2-methoxyanilino)methyl]furan-2-carbonitrile
CID 115743415
N-[4-[(3-hydroxyphenyl)methylamino]-2-methoxyphenyl]acetamide
CID 43672974
5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile
CID 115652501
N-[2-methoxy-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 80711477
5-[(3-chloro-4-hydroxyanilino)methyl]furan-2-carbonitrile
CID 107678453
methyl 5-[(4-cyano-2-methoxyanilino)methyl]furan-2-carboxylate
CID 104848329
N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline
CID 62347377

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-cyanofuran-2-yl)methylamino]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[4-[(5-cyanofuran-2-yl)methylamino]-2-methoxyphenyl]acetamide (CID 115652550) is N-[4-[(5-cyanofuran-2-yl)methylamino]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[4-[(5-cyanofuran-2-yl)methylamino]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[4-[(5-cyanofuran-2-yl)methylamino]-2-methoxyphenyl]acetamide is COc1cc(NCc2ccc(C#N)o2)ccc1NC(C)=O.
What is the InChIKey of N-[4-[(5-cyanofuran-2-yl)methylamino]-2-methoxyphenyl]acetamide?
The InChIKey is AHENQUJJUNUZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10(19)18-14-6-3-11(7-15(14)20-2)17-9-13-5-4-12(8-16)21-13/h3-7,17H,9H2,1-2H3,(H,18,19).
What are the key properties of N-[4-[(5-cyanofuran-2-yl)methylamino]-2-methoxyphenyl]acetamide?
N-[4-[(5-cyanofuran-2-yl)methylamino]-2-methoxyphenyl]acetamide has a molecular weight of 285.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-cyanofuran-2-yl)methylamino]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 115652550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).