N-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide

C15H15N3O3 — CID 115652546

IUPACN-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(NCc2ccc(C#N)o2)cc1
InChIInChI=1S/C15H15N3O3/c1-20-10-15(19)18-12-4-2-11(3-5-12)17-9-14-7-6-13(8-16)21-14/h2-7,17H,9-10H2,1H3,(H,18,19)
InChIKeyDHMGZNSERMKBQT-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.35
Rot. Bonds6

About N-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide

N-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide (PubChem CID 115652546) 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]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide
PubChem CID115652546
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(NCc2ccc(C#N)o2)cc1
InChIInChI=1S/C15H15N3O3/c1-20-10-15(19)18-12-4-2-11(3-5-12)17-9-14-7-6-13(8-16)21-14/h2-7,17H,9-10H2,1H3,(H,18,19)
InChIKeyDHMGZNSERMKBQT-UHFFFAOYSA-N
XLogP2.35
TPSA87.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-bromoanilino)methyl]furan-2-carbonitrile
CID 115909240
5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile
CID 115748697
N-[4-[(4-hydroxyphenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717389
2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 115652577
N-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-2-methoxyacetamide
CID 62345367
2-methoxy-N-[4-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 62760279
5-[(2-methoxyanilino)methyl]furan-2-carbonitrile
CID 115742740
5-[(3,4-diethoxyanilino)methyl]furan-2-carbonitrile
CID 115671135
2-methoxy-N-[4-[(2-methylpyrazol-3-yl)methylamino]phenyl]acetamide
CID 43717460
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717390
5-[(3-chloro-4-hydroxyanilino)methyl]furan-2-carbonitrile
CID 107678453
N-[4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]-2-methoxyacetamide
CID 115761980

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide (CID 115652546) is N-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(NCc2ccc(C#N)o2)cc1.
What is the InChIKey of N-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide?
The InChIKey is DHMGZNSERMKBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-20-10-15(19)18-12-4-2-11(3-5-12)17-9-14-7-6-13(8-16)21-14/h2-7,17H,9-10H2,1H3,(H,18,19).
What are the key properties of N-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide?
N-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide has a molecular weight of 285.30 g/mol, XLogP of 2.35, 6 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]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 115652546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).