N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide

C15H25N3O2 — CID 62308822

IUPACN'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide
SMILESCOCCN(CC(C)C)c1cc(C)ccc1C(N)=NO
InChIInChI=1S/C15H25N3O2/c1-11(2)10-18(7-8-20-4)14-9-12(3)5-6-13(14)15(16)17-19/h5-6,9,11,19H,7-8,10H2,1-4H3,(H2,16,17)
InChIKeyWUKCPRWEOKGAAY-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.20
Rot. Bonds7

About N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide

N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide (PubChem CID 62308822) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide
PubChem CID62308822
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide
SMILESCOCCN(CC(C)C)c1cc(C)ccc1C(N)=NO
InChIInChI=1S/C15H25N3O2/c1-11(2)10-18(7-8-20-4)14-9-12(3)5-6-13(14)15(16)17-19/h5-6,9,11,19H,7-8,10H2,1-4H3,(H2,16,17)
InChIKeyWUKCPRWEOKGAAY-UHFFFAOYSA-N
XLogP2.20
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.20
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-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 62701501
N'-hydroxy-4-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 76938828
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide
CID 107929997
2-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)aniline
CID 62308997
2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938914
4-chloro-2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76985058
N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide
CID 76938893
2-[bis(2-methoxyethyl)amino]-4-methylbenzoic acid
CID 62701013
4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 55180610
2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 77022737
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938948
4-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid
CID 81304692

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide (CID 62308822) is N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide is COCCN(CC(C)C)c1cc(C)ccc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide?
The InChIKey is WUKCPRWEOKGAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)10-18(7-8-20-4)14-9-12(3)5-6-13(14)15(16)17-19/h5-6,9,11,19H,7-8,10H2,1-4H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide?
N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide has a molecular weight of 279.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62308822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).