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

C12H17N3O2 — CID 113243167

IUPAC2-[(5-cyanofuran-2-yl)methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNCc1ccc(C#N)o1
InChIInChI=1S/C12H17N3O2/c1-9(2)6-15-12(16)8-14-7-11-4-3-10(5-13)17-11/h3-4,9,14H,6-8H2,1-2H3,(H,15,16)
InChIKeyGVFVKMNRGBBKPF-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.01
Rot. Bonds6

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

2-[(5-cyanofuran-2-yl)methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 113243167) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(5-cyanofuran-2-yl)methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyanofuran-2-yl)methylamino]-N-(2-methylpropyl)acetamide
PubChem CID113243167
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[(5-cyanofuran-2-yl)methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNCc1ccc(C#N)o1
InChIInChI=1S/C12H17N3O2/c1-9(2)6-15-12(16)8-14-7-11-4-3-10(5-13)17-11/h3-4,9,14H,6-8H2,1-2H3,(H,15,16)
InChIKeyGVFVKMNRGBBKPF-UHFFFAOYSA-N
XLogP1.01
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile
CID 115652335
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596
5-[[(3-hydroxy-4-methylpentyl)amino]methyl]furan-2-carbonitrile
CID 115654714
5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile
CID 115653697
N-[(5-cyanofuran-2-yl)methyl]prop-2-enamide
CID 166410197
5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile
CID 103707954
5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile
CID 115651717
5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile
CID 115653866
2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide
CID 60695447
2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263785
5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115656602
5-[(2-methoxyethylamino)methyl]furan-2-carbonitrile
CID 115651300

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyanofuran-2-yl)methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(5-cyanofuran-2-yl)methylamino]-N-(2-methylpropyl)acetamide (CID 113243167) is 2-[(5-cyanofuran-2-yl)methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(5-cyanofuran-2-yl)methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(5-cyanofuran-2-yl)methylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNCc1ccc(C#N)o1.
What is the InChIKey of 2-[(5-cyanofuran-2-yl)methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is GVFVKMNRGBBKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(2)6-15-12(16)8-14-7-11-4-3-10(5-13)17-11/h3-4,9,14H,6-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(5-cyanofuran-2-yl)methylamino]-N-(2-methylpropyl)acetamide?
2-[(5-cyanofuran-2-yl)methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 235.29 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyanofuran-2-yl)methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 113243167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).