(2-anilino-2-oxoethyl) cyclohexanecarboximidate

C15H20N2O2 — CID 142010544

IUPAC(2-anilino-2-oxoethyl) cyclohexanecarboximidate
SMILES[H]/N=C(/OCC(=O)Nc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H20N2O2/c16-15(12-7-3-1-4-8-12)19-11-14(18)17-13-9-5-2-6-10-13/h2,5-6,9-10,12,16H,1,3-4,7-8,11H2,(H,17,18)/b16-15+
InChIKeyUYKILSSLEOUHAL-FOCLMDBBSA-N
MW260.34 g/mol
LogP3.20
Rot. Bonds4

About (2-anilino-2-oxoethyl) cyclohexanecarboximidate

(2-anilino-2-oxoethyl) cyclohexanecarboximidate (PubChem CID 142010544) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) cyclohexanecarboximidate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) cyclohexanecarboximidate
PubChem CID142010544
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2-anilino-2-oxoethyl) cyclohexanecarboximidate
SMILES[H]/N=C(/OCC(=O)Nc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H20N2O2/c16-15(12-7-3-1-4-8-12)19-11-14(18)17-13-9-5-2-6-10-13/h2,5-6,9-10,12,16H,1,3-4,7-8,11H2,(H,17,18)/b16-15+
InChIKeyUYKILSSLEOUHAL-FOCLMDBBSA-N
XLogP3.20
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.20
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'}

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Related Compounds

[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate
CID 8020094
[2-(3-iodoanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2410507
(2-anilino-2-oxoethyl) 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 2124041
2-aminooxy-N-phenylacetamide
CID 68980997
2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(4-phenylphenyl)acetamide
CID 126799212
[2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 3621562
bis(2-anilino-2-oxoethyl) (E)-but-2-enedioate
CID 9010738
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426324
[2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2495206
(2-anilino-2-oxoethyl) 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate
CID 7739318
2-cyclohexylsulfanyl-N-phenylacetamide
CID 23932731
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) cyclohexanecarboximidate?
The IUPAC name of (2-anilino-2-oxoethyl) cyclohexanecarboximidate (CID 142010544) is (2-anilino-2-oxoethyl) cyclohexanecarboximidate.
What is the SMILES notation for (2-anilino-2-oxoethyl) cyclohexanecarboximidate?
The canonical SMILES for (2-anilino-2-oxoethyl) cyclohexanecarboximidate is [H]/N=C(/OCC(=O)Nc1ccccc1)C1CCCCC1.
What is the InChIKey of (2-anilino-2-oxoethyl) cyclohexanecarboximidate?
The InChIKey is UYKILSSLEOUHAL-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-15(12-7-3-1-4-8-12)19-11-14(18)17-13-9-5-2-6-10-13/h2,5-6,9-10,12,16H,1,3-4,7-8,11H2,(H,17,18)/b16-15+.
What are the key properties of (2-anilino-2-oxoethyl) cyclohexanecarboximidate?
(2-anilino-2-oxoethyl) cyclohexanecarboximidate has a molecular weight of 260.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) cyclohexanecarboximidate is sourced from PubChem (CID 142010544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).