2-[(Z)-(1-amino-3-methylbutylidene)amino]oxy-N-(3-chloro-4-methylphenyl)acetamide

C14H20ClN3O2 — CID 47075164

IUPAC2-[(Z)-(1-amino-3-methylbutylidene)amino]oxy-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CO/N=C(\N)CC(C)C)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-9(2)6-13(16)18-20-8-14(19)17-11-5-4-10(3)12(15)7-11/h4-5,7,9H,6,8H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyJYTCPFATVLZQCW-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.92
Rot. Bonds6

About 2-[(Z)-(1-amino-3-methylbutylidene)amino]oxy-N-(3-chloro-4-methylphenyl)acetamide

2-[(Z)-(1-amino-3-methylbutylidene)amino]oxy-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 47075164) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[(Z)-(1-amino-3-methylbutylidene)amino]oxy-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(1-amino-3-methylbutylidene)amino]oxy-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID47075164
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-[(Z)-(1-amino-3-methylbutylidene)amino]oxy-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CO/N=C(\N)CC(C)C)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-9(2)6-13(16)18-20-8-14(19)17-11-5-4-10(3)12(15)7-11/h4-5,7,9H,6,8H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyJYTCPFATVLZQCW-UHFFFAOYSA-N
XLogP2.92
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.92
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705226
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235492
[2-(3-chloro-4-methylanilino)-2-oxoethyl] N'-aminocarbamimidothioate
CID 77059968
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723787
5-amino-N-(3-chloro-4-methylphenyl)-4-methylpentanamide
CID 82683230
N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide
CID 60663237
[2-(3-chloro-4-methylanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887138
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633182
[2-(3-chloro-4-methylanilino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132866
2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide
CID 75264610

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(1-amino-3-methylbutylidene)amino]oxy-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[(Z)-(1-amino-3-methylbutylidene)amino]oxy-N-(3-chloro-4-methylphenyl)acetamide (CID 47075164) is 2-[(Z)-(1-amino-3-methylbutylidene)amino]oxy-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-(1-amino-3-methylbutylidene)amino]oxy-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[(Z)-(1-amino-3-methylbutylidene)amino]oxy-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CO/N=C(\N)CC(C)C)cc1Cl.
What is the InChIKey of 2-[(Z)-(1-amino-3-methylbutylidene)amino]oxy-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is JYTCPFATVLZQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-9(2)6-13(16)18-20-8-14(19)17-11-5-4-10(3)12(15)7-11/h4-5,7,9H,6,8H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of 2-[(Z)-(1-amino-3-methylbutylidene)amino]oxy-N-(3-chloro-4-methylphenyl)acetamide?
2-[(Z)-(1-amino-3-methylbutylidene)amino]oxy-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 297.79 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(1-amino-3-methylbutylidene)amino]oxy-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 47075164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).