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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide
CID 77039187
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide
CID 104979359
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-methylcyclopentane-1-carboxamide
CID 107182710
N-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide
CID 104979329
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)oxane-2-carboxamide
CID 77039367
N-cyclopentyl-5-methyloxolane-3-carboxamide
CID 114826115
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-tert-butylcyclohexane-1-carboxamide
CID 77039306
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide
CID 77038392
2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548454
(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea
CID 77038333
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)azepane-1-carboxamide
CID 79151860
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940415

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).