N'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide

C12H18N2O2 — CID 134110506

IUPACN'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide
SMILESCOc1ccc(/C(=N\O)N(C)C(C)C)cc1
InChIInChI=1S/C12H18N2O2/c1-9(2)14(3)12(13-15)10-5-7-11(16-4)8-6-10/h5-9,15H,1-4H3/b13-12+
InChIKeyGDXFSSXXVMWUCR-OUKQBFOZSA-N
MW222.29 g/mol
LogP2.17
Rot. Bonds3

About N'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide

N'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide (PubChem CID 134110506) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide
PubChem CID134110506
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide
SMILESCOc1ccc(/C(=N\O)N(C)C(C)C)cc1
InChIInChI=1S/C12H18N2O2/c1-9(2)14(3)12(13-15)10-5-7-11(16-4)8-6-10/h5-9,15H,1-4H3/b13-12+
InChIKeyGDXFSSXXVMWUCR-OUKQBFOZSA-N
XLogP2.17
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N-methyl-N-propan-2-yl-4-propoxybenzenecarboximidamide
CID 134106682
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
N'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide
CID 525616
N-benzyl-N-ethyl-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 6181573
(NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5402606
4-methoxy-N,N-dimethyl-N'-nonylbenzenecarboximidamide
CID 525636
(NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine
CID 56668464
N'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide
CID 154186935
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701
N-[1-[4-(4-methoxyphenyl)phenyl]ethylidene]hydroxylamine
CID 87865023
2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62332829
1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene
CID 100960960

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide (CID 134110506) is N'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide is COc1ccc(/C(=N\O)N(C)C(C)C)cc1.
What is the InChIKey of N'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide?
The InChIKey is GDXFSSXXVMWUCR-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)14(3)12(13-15)10-5-7-11(16-4)8-6-10/h5-9,15H,1-4H3/b13-12+.
What are the key properties of N'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide?
N'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide has a molecular weight of 222.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 134110506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).