N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide

C14H23N3O2 — CID 77062215

IUPACN'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide
SMILESCOc1ccc(NCCC(C)(C)C(N)=NO)c(C)c1
InChIInChI=1S/C14H23N3O2/c1-10-9-11(19-4)5-6-12(10)16-8-7-14(2,3)13(15)17-18/h5-6,9,16,18H,7-8H2,1-4H3,(H2,15,17)
InChIKeyDWWVQSHTWMPZGO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.58
Rot. Bonds6

About N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide

N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide (PubChem CID 77062215) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide
PubChem CID77062215
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide
SMILESCOc1ccc(NCCC(C)(C)C(N)=NO)c(C)c1
InChIInChI=1S/C14H23N3O2/c1-10-9-11(19-4)5-6-12(10)16-8-7-14(2,3)13(15)17-18/h5-6,9,16,18H,7-8H2,1-4H3,(H2,15,17)
InChIKeyDWWVQSHTWMPZGO-UHFFFAOYSA-N
XLogP2.58
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'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-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062149
4-(2-bromo-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77069992
5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064018
4-methoxy-N-(3-methoxy-3-methylbutyl)-2-methylaniline
CID 102975776
N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide
CID 77063802
N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide
CID 77063510
5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063405
4-(5-chloro-2-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062230
4-(5-chloro-2-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061908
N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide
CID 77063242
4-methoxy-2-methyl-N-nonylaniline
CID 63492120
5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064045

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide (CID 77062215) is N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide is COc1ccc(NCCC(C)(C)C(N)=NO)c(C)c1.
What is the InChIKey of N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide?
The InChIKey is DWWVQSHTWMPZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-9-11(19-4)5-6-12(10)16-8-7-14(2,3)13(15)17-18/h5-6,9,16,18H,7-8H2,1-4H3,(H2,15,17).
What are the key properties of N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide?
N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide has a molecular weight of 265.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).