N'-[(2-cyanophenyl)methoxy]-3-methoxypropanimidamide

C12H15N3O2 — CID 76877830

IUPACN'-[(2-cyanophenyl)methoxy]-3-methoxypropanimidamide
SMILESCOCCC(N)=NOCc1ccccc1C#N
InChIInChI=1S/C12H15N3O2/c1-16-7-6-12(14)15-17-9-11-5-3-2-4-10(11)8-13/h2-5H,6-7,9H2,1H3,(H2,14,15)
InChIKeyHFOGIBFFLIFRCS-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.38
Rot. Bonds6

About N'-[(2-cyanophenyl)methoxy]-3-methoxypropanimidamide

N'-[(2-cyanophenyl)methoxy]-3-methoxypropanimidamide (PubChem CID 76877830) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N'-[(2-cyanophenyl)methoxy]-3-methoxypropanimidamide.

Molecular Properties

Compound NameN'-[(2-cyanophenyl)methoxy]-3-methoxypropanimidamide
PubChem CID76877830
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN'-[(2-cyanophenyl)methoxy]-3-methoxypropanimidamide
SMILESCOCCC(N)=NOCc1ccccc1C#N
InChIInChI=1S/C12H15N3O2/c1-16-7-6-12(14)15-17-9-11-5-3-2-4-10(11)8-13/h2-5H,6-7,9H2,1H3,(H2,14,15)
InChIKeyHFOGIBFFLIFRCS-UHFFFAOYSA-N
XLogP1.38
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
CID 2893154
(2-cyanophenyl)methyl carbamate
CID 66644204
N'-[(2-cyanophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 60602674
2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzonitrile
CID 165365622
2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile
CID 39161264
N'-[(2-cyanophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 76877864
2-[2-(2-methoxyethylamino)ethyl]benzonitrile
CID 107937029
2-(3-methoxypropylsulfinylmethyl)benzonitrile
CID 64691269
N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
CID 78905688
2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile
CID 29001545
(2-cyanophenyl)methyl 2,6-dimethoxybenzoate
CID 4784820
3-[(2-cyanophenyl)methyl-(2-methoxyethyl)amino]propanoic acid
CID 82327928

Frequently Asked Questions

What is the IUPAC name of N'-[(2-cyanophenyl)methoxy]-3-methoxypropanimidamide?
The IUPAC name of N'-[(2-cyanophenyl)methoxy]-3-methoxypropanimidamide (CID 76877830) is N'-[(2-cyanophenyl)methoxy]-3-methoxypropanimidamide.
What is the SMILES notation for N'-[(2-cyanophenyl)methoxy]-3-methoxypropanimidamide?
The canonical SMILES for N'-[(2-cyanophenyl)methoxy]-3-methoxypropanimidamide is COCCC(N)=NOCc1ccccc1C#N.
What is the InChIKey of N'-[(2-cyanophenyl)methoxy]-3-methoxypropanimidamide?
The InChIKey is HFOGIBFFLIFRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-7-6-12(14)15-17-9-11-5-3-2-4-10(11)8-13/h2-5H,6-7,9H2,1H3,(H2,14,15).
What are the key properties of N'-[(2-cyanophenyl)methoxy]-3-methoxypropanimidamide?
N'-[(2-cyanophenyl)methoxy]-3-methoxypropanimidamide has a molecular weight of 233.27 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-cyanophenyl)methoxy]-3-methoxypropanimidamide is sourced from PubChem (CID 76877830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).