2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide

C14H23N3O3 — CID 77026817

IUPAC2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide
SMILESCCOc1ccc(OCC)c(NC(CC)C(N)=NO)c1
InChIInChI=1S/C14H23N3O3/c1-4-11(14(15)17-18)16-12-9-10(19-5-2)7-8-13(12)20-6-3/h7-9,11,16,18H,4-6H2,1-3H3,(H2,15,17)
InChIKeyADMQINWUDDYYFZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.42
Rot. Bonds8

About 2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide

2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide (PubChem CID 77026817) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide
PubChem CID77026817
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide
SMILESCCOc1ccc(OCC)c(NC(CC)C(N)=NO)c1
InChIInChI=1S/C14H23N3O3/c1-4-11(14(15)17-18)16-12-9-10(19-5-2)7-8-13(12)20-6-3/h7-9,11,16,18H,4-6H2,1-3H3,(H2,15,17)
InChIKeyADMQINWUDDYYFZ-UHFFFAOYSA-N
XLogP2.42
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

2-(2-bromo-5-methoxyanilino)-N'-hydroxybutanimidamide
CID 77069907
(2,5-diethoxyphenyl)hydrazine
CID 119006370
1-(2,5-diethoxyphenyl)-2-(2-ethylbutyl)guanidine;hydroiodide
CID 111800679
2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115928387
2,5-diethoxy-N-hexan-2-ylaniline
CID 43759242
2-(2,5-diethoxyanilino)-N-ethylpropanamide
CID 43088911
2-(3,5-dimethoxyanilino)-N'-hydroxybutanimidamide
CID 77025318
2-(2-ethoxyanilino)butanamide
CID 62900399
1-(2,5-diethoxyphenyl)-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine
CID 111804440
(2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide
CID 94104980
2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide
CID 55060557
2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide
CID 111040816

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide (CID 77026817) is 2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide is CCOc1ccc(OCC)c(NC(CC)C(N)=NO)c1.
What is the InChIKey of 2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide?
The InChIKey is ADMQINWUDDYYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-11(14(15)17-18)16-12-9-10(19-5-2)7-8-13(12)20-6-3/h7-9,11,16,18H,4-6H2,1-3H3,(H2,15,17).
What are the key properties of 2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide?
2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide has a molecular weight of 281.36 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77026817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).