N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H27N3O3 — CID 103940415

IUPACN-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NC(C(N)=NO)C1CCCCC1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-9-11(18)16-12(13(15)17-19)10-7-5-4-6-8-10/h10,12,19H,4-9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyJTRFTMBQCNKEQH-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.61
Rot. Bonds5

About N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 103940415) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID103940415
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NC(C(N)=NO)C1CCCCC1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-9-11(18)16-12(13(15)17-19)10-7-5-4-6-8-10/h10,12,19H,4-9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyJTRFTMBQCNKEQH-UHFFFAOYSA-N
XLogP1.61
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide
CID 77039366
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602752
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide
CID 77037057
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-methylcyclopentane-1-carboxamide
CID 107182710
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide
CID 77038709
N-cycloheptyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604811
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide
CID 77039187
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide
CID 77038392
(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea
CID 77038333
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide
CID 104979326
N-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102802127

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 103940415) is N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NC(C(N)=NO)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is JTRFTMBQCNKEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,3)20-9-11(18)16-12(13(15)17-19)10-7-5-4-6-8-10/h10,12,19H,4-9H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 285.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 103940415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).