4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide

C14H22ClN3O2 — CID 76984278

IUPAC4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide
SMILESCCC(C)N(CCOC)c1ccc(C(N)=NO)cc1Cl
InChIInChI=1S/C14H22ClN3O2/c1-4-10(2)18(7-8-20-3)13-6-5-11(9-12(13)15)14(16)17-19/h5-6,9-10,19H,4,7-8H2,1-3H3,(H2,16,17)
InChIKeyGBWPIWNZHRZDKR-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.69
Rot. Bonds7

About 4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide

4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 76984278) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID76984278
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide
SMILESCCC(C)N(CCOC)c1ccc(C(N)=NO)cc1Cl
InChIInChI=1S/C14H22ClN3O2/c1-4-10(2)18(7-8-20-3)13-6-5-11(9-12(13)15)14(16)17-19/h5-6,9-10,19H,4,7-8H2,1-3H3,(H2,16,17)
InChIKeyGBWPIWNZHRZDKR-UHFFFAOYSA-N
XLogP2.69
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.69
H-Bond Donors ≤ 52
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54999381
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482555
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013495
2-[butan-2-yl(2-methoxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519526
3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide
CID 77015882
2-[butan-2-yl(butyl)amino]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76997736
4-[butan-2-yl(methyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658169
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide
CID 107929997
3-chloro-N'-hydroxy-4-[3-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 114230237
N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 82951012
1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine
CID 55001536
3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide
CID 76984250

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide (CID 76984278) is 4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide is CCC(C)N(CCOC)c1ccc(C(N)=NO)cc1Cl.
What is the InChIKey of 4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is GBWPIWNZHRZDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-4-10(2)18(7-8-20-3)13-6-5-11(9-12(13)15)14(16)17-19/h5-6,9-10,19H,4,7-8H2,1-3H3,(H2,16,17).
What are the key properties of 4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide?
4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 299.80 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(2-methoxyethyl)amino]-3-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76984278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).