N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide

C14H25N3O3 — CID 104979326

IUPACN-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC(C(N)=NO)C2CCCCC2)CO1
InChIInChI=1S/C14H25N3O3/c1-9-7-11(8-20-9)14(18)16-12(13(15)17-19)10-5-3-2-4-6-10/h9-12,19H,2-8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyZWBFRYWXSQFEEM-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.22
Rot. Bonds4

About N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide

N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide (PubChem CID 104979326) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide
PubChem CID104979326
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NC(C(N)=NO)C2CCCCC2)CO1
InChIInChI=1S/C14H25N3O3/c1-9-7-11(8-20-9)14(18)16-12(13(15)17-19)10-5-3-2-4-6-10/h9-12,19H,2-8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyZWBFRYWXSQFEEM-UHFFFAOYSA-N
XLogP1.22
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.22
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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide (CID 104979326) is N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)NC(C(N)=NO)C2CCCCC2)CO1.
What is the InChIKey of N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide?
The InChIKey is ZWBFRYWXSQFEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-9-7-11(8-20-9)14(18)16-12(13(15)17-19)10-5-3-2-4-6-10/h9-12,19H,2-8H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide?
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-methyloxolane-3-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 1.22, 4 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)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 104979326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).