2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide

C16H27N3O2 — CID 115505551

IUPAC2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)c(OCCN(C(C)C)C(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-11(2)19(12(3)4)8-9-21-15-10-13(5)6-7-14(15)16(17)18-20/h6-7,10-12,20H,8-9H2,1-5H3,(H2,17,18)
InChIKeyYMTQHPMDDGBYHB-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.59
Rot. Bonds7

About 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide

2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 115505551) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID115505551
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)c(OCCN(C(C)C)C(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-11(2)19(12(3)4)8-9-21-15-10-13(5)6-7-14(15)16(17)18-20/h6-7,10-12,20H,8-9H2,1-5H3,(H2,17,18)
InChIKeyYMTQHPMDDGBYHB-UHFFFAOYSA-N
XLogP2.59
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.59
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

N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide
CID 76938735
N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide
CID 76999670
2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939071
N'-hydroxy-4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 55056871
2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930175
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide
CID 107929997
4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide
CID 76984720
2-(4-ethylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938935
2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939029
2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide
CID 115505583
N'-hydroxy-4-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 76938828
N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide
CID 62308822

Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide (CID 115505551) is 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide is Cc1ccc(/C(N)=N/O)c(OCCN(C(C)C)C(C)C)c1.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is YMTQHPMDDGBYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)19(12(3)4)8-9-21-15-10-13(5)6-7-14(15)16(17)18-20/h6-7,10-12,20H,8-9H2,1-5H3,(H2,17,18).
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide?
2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide has a molecular weight of 293.41 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 115505551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).