2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide

C14H23N3O3 — CID 81302918

IUPAC2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCCN(c1cc(OC)ccc1/C(N)=N/O)C(C)COC
InChIInChI=1S/C14H23N3O3/c1-5-17(10(2)9-19-3)13-8-11(20-4)6-7-12(13)14(15)16-18/h6-8,10,18H,5,9H2,1-4H3,(H2,15,16)
InChIKeyRZDHZDXVKFRMLW-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.65
Rot. Bonds7

About 2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide

2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide (PubChem CID 81302918) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide
PubChem CID81302918
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCCN(c1cc(OC)ccc1/C(N)=N/O)C(C)COC
InChIInChI=1S/C14H23N3O3/c1-5-17(10(2)9-19-3)13-8-11(20-4)6-7-12(13)14(15)16-18/h6-8,10,18H,5,9H2,1-4H3,(H2,15,16)
InChIKeyRZDHZDXVKFRMLW-UHFFFAOYSA-N
XLogP1.65
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
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

5-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 76944743
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938948
2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylbenzenecarbothioamide
CID 62302115
3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739406
4-chloro-2-[1-(dimethylamino)propan-2-yl-ethylamino]-N'-hydroxybenzenecarboximidamide
CID 103189143
2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide
CID 107279012
2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81302704
2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 83385991
5-bromo-2-[butan-2-yl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892396
2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 43265830
5-bromo-2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892388
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54999381

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide (CID 81302918) is 2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide is CCN(c1cc(OC)ccc1/C(N)=N/O)C(C)COC.
What is the InChIKey of 2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide?
The InChIKey is RZDHZDXVKFRMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-17(10(2)9-19-3)13-8-11(20-4)6-7-12(13)14(15)16-18/h6-8,10,18H,5,9H2,1-4H3,(H2,15,16).
What are the key properties of 2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide?
2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide has a molecular weight of 281.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81302918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).