2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide

C15H21N3O2 — CID 47213166

IUPAC2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CON=C(N)C1CCCC1
InChIInChI=1S/C15H21N3O2/c1-11-6-2-5-9-13(11)17-14(19)10-20-18-15(16)12-7-3-4-8-12/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H2,16,18)(H,17,19)
InChIKeyHARXHCNNIMCADM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.41
Rot. Bonds5

About 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide

2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide (PubChem CID 47213166) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide
PubChem CID47213166
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CON=C(N)C1CCCC1
InChIInChI=1S/C15H21N3O2/c1-11-6-2-5-9-13(11)17-14(19)10-20-18-15(16)12-7-3-4-8-12/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H2,16,18)(H,17,19)
InChIKeyHARXHCNNIMCADM-UHFFFAOYSA-N
XLogP2.41
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.41
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

2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(4-phenylphenyl)acetamide
CID 126799212
2-[[amino-(1-methylpiperidin-3-yl)methylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 126817537
[2-(2-methylanilino)-2-oxoethyl] (1R,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 50937619
2-(cyclopentyloxyamino)-N-(2-methylphenyl)acetamide
CID 83228788
N-(2-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 7332900
N-cyclohexyl-N'-(2-methylphenyl)propanediamide
CID 108942579
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
[1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 154754678
[2-(2-methylanilino)-2-oxoethyl] 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 7635390
[2-(2-methylanilino)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2466641
[2-(2-methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2364845
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806639

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide (CID 47213166) is 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CON=C(N)C1CCCC1.
What is the InChIKey of 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide?
The InChIKey is HARXHCNNIMCADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-6-2-5-9-13(11)17-14(19)10-20-18-15(16)12-7-3-4-8-12/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide?
2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 47213166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).