4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxy-2-methylbenzenecarboximidamide

C14H20N2O4 — CID 87478601

IUPAC4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxy-2-methylbenzenecarboximidamide
SMILESCc1cc(OC[C@@H]2COC(C)(C)O2)ccc1/C(N)=N/O
InChIInChI=1S/C14H20N2O4/c1-9-6-10(4-5-12(9)13(15)16-17)18-7-11-8-19-14(2,3)20-11/h4-6,11,17H,7-8H2,1-3H3,(H2,15,16)/t11-/m1/s1
InChIKeyRXJMDWGZWOFPJR-LLVKDONJSA-N
MW280.32 g/mol
LogP1.62
Rot. Bonds4

About 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxy-2-methylbenzenecarboximidamide

4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxy-2-methylbenzenecarboximidamide (PubChem CID 87478601) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxy-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxy-2-methylbenzenecarboximidamide
PubChem CID87478601
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxy-2-methylbenzenecarboximidamide
SMILESCc1cc(OC[C@@H]2COC(C)(C)O2)ccc1/C(N)=N/O
InChIInChI=1S/C14H20N2O4/c1-9-6-10(4-5-12(9)13(15)16-17)18-7-11-8-19-14(2,3)20-11/h4-6,11,17H,7-8H2,1-3H3,(H2,15,16)/t11-/m1/s1
InChIKeyRXJMDWGZWOFPJR-LLVKDONJSA-N
XLogP1.62
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.62
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

4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxybenzenecarboximidamide
CID 123686862
3-chloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 86646461
4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-ethyl-N'-hydroxy-5-methylbenzenecarboximidamide
CID 87420633
2,2-dimethyl-4-[(4-methylphenoxy)methyl]-1,3-dioxolane
CID 66834871
(1S)-2-amino-1-[5-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-methylphenyl]ethanol
CID 122455224
(4S)-2,2-dimethyl-4-[[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane
CID 70932710
3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]aniline
CID 58278984
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]aniline
CID 58154795
3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]aniline
CID 58552948
[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-(4-hydroxyphenyl)methanone
CID 90480248
1-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]ethanol
CID 54150014
5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]pyridin-2-amine
CID 121350448

Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxy-2-methylbenzenecarboximidamide?
The IUPAC name of 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxy-2-methylbenzenecarboximidamide (CID 87478601) is 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxy-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxy-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxy-2-methylbenzenecarboximidamide is Cc1cc(OC[C@@H]2COC(C)(C)O2)ccc1/C(N)=N/O.
What is the InChIKey of 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxy-2-methylbenzenecarboximidamide?
The InChIKey is RXJMDWGZWOFPJR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-6-10(4-5-12(9)13(15)16-17)18-7-11-8-19-14(2,3)20-11/h4-6,11,17H,7-8H2,1-3H3,(H2,15,16)/t11-/m1/s1.
What are the key properties of 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxy-2-methylbenzenecarboximidamide?
4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxy-2-methylbenzenecarboximidamide has a molecular weight of 280.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-N'-hydroxy-2-methylbenzenecarboximidamide is sourced from PubChem (CID 87478601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).