4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide

C14H23N3O3 — CID 77025986

IUPAC4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide
SMILESCCOCCCNCCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C14H23N3O3/c1-2-19-10-3-8-16-9-11-20-13-6-4-12(5-7-13)14(15)17-18/h4-7,16,18H,2-3,8-11H2,1H3,(H2,15,17)
InChIKeyFNPCPGLSNOZCME-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.18
Rot. Bonds10

About 4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide

4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 77025986) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID77025986
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide
SMILESCCOCCCNCCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C14H23N3O3/c1-2-19-10-3-8-16-9-11-20-13-6-4-12(5-7-13)14(15)17-18/h4-7,16,18H,2-3,8-11H2,1H3,(H2,15,17)
InChIKeyFNPCPGLSNOZCME-UHFFFAOYSA-N
XLogP1.18
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 77025374
N'-hydroxy-4-[2-(3-propoxypropylamino)ethoxy]benzenecarboximidamide
CID 82941754
N'-hydroxy-4-[2-(3-hydroxypropylamino)ethoxy]benzenecarboximidamide
CID 77029004
4-[2-[4-(N'-hydroxycarbamimidoyl)phenoxy]ethylamino]butanamide
CID 77027995
N'-hydroxy-4-[2-[2-(2-methylprop-2-enoxy)ethylamino]ethoxy]benzenecarboximidamide
CID 114468068
N'-hydroxy-4-[2-(3-methylbutylamino)ethoxy]benzenecarboximidamide
CID 77025462
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-4-[2-(pent-3-ynylamino)ethoxy]benzenecarboximidamide
CID 116644301
N'-hydroxy-4-[2-(2-methylsulfonylethylamino)ethoxy]benzenecarboximidamide
CID 77025497
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide
CID 61299054
4-[(3-ethoxypropylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482681

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide (CID 77025986) is 4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide is CCOCCCNCCOc1ccc(C(N)=NO)cc1.
What is the InChIKey of 4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is FNPCPGLSNOZCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-19-10-3-8-16-9-11-20-13-6-4-12(5-7-13)14(15)17-18/h4-7,16,18H,2-3,8-11H2,1H3,(H2,15,17).
What are the key properties of 4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide?
4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 281.36 g/mol, XLogP of 1.18, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77025986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).