N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide

C14H22N2O3 — CID 61299054

IUPACN'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide
SMILESCCCCCOCCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C14H22N2O3/c1-2-3-4-9-18-10-11-19-13-7-5-12(6-8-13)14(15)16-17/h5-8,17H,2-4,9-11H2,1H3,(H2,15,16)
InChIKeyOMHZLXZOBLJASB-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.37
Rot. Bonds9

About N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide

N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide (PubChem CID 61299054) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide
PubChem CID61299054
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide
SMILESCCCCCOCCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C14H22N2O3/c1-2-3-4-9-18-10-11-19-13-7-5-12(6-8-13)14(15)16-17/h5-8,17H,2-4,9-11H2,1H3,(H2,15,16)
InChIKeyOMHZLXZOBLJASB-UHFFFAOYSA-N
XLogP2.37
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 61301378
formonitrile;4-heptoxy-N'-hydroxybenzenecarboximidamide;1-heptoxy-4-methylbenzene
CID 172920699
N'-hydroxy-4-[2-(3-propoxypropylamino)ethoxy]benzenecarboximidamide
CID 82941754
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
4-[6-[3,5-bis[6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]hexoxy]phenoxy]hexoxy]-N'-hydroxybenzenecarboximidamide;ethane
CID 142380100
4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43267729
4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76905016
N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 61300990
4-(3-pentoxypropoxy)benzenecarbothioamide
CID 43291486
N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900
N'-hydroxy-4-[2-(3,3,3-trifluoropropoxy)ethoxy]benzenecarboximidamide
CID 82954695

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide (CID 61299054) is N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide is CCCCCOCCOc1ccc(C(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide?
The InChIKey is OMHZLXZOBLJASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-3-4-9-18-10-11-19-13-7-5-12(6-8-13)14(15)16-17/h5-8,17H,2-4,9-11H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide?
N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide has a molecular weight of 266.34 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide is sourced from PubChem (CID 61299054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).