N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-ethylacetamide

C13H25N3O2 — CID 54993048

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-ethylacetamide
SMILESCCN(CC/C(N)=N/O)C(=O)CC1CCCCC1
InChIInChI=1S/C13H25N3O2/c1-2-16(9-8-12(14)15-18)13(17)10-11-6-4-3-5-7-11/h11,18H,2-10H2,1H3,(H2,14,15)
InChIKeyDFHNXTQWYURKTG-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.94
Rot. Bonds6

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-ethylacetamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-ethylacetamide (PubChem CID 54993048) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-ethylacetamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-ethylacetamide
PubChem CID54993048
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-ethylacetamide
SMILESCCN(CC/C(N)=N/O)C(=O)CC1CCCCC1
InChIInChI=1S/C13H25N3O2/c1-2-16(9-8-12(14)15-18)13(17)10-11-6-4-3-5-7-11/h11,18H,2-10H2,1H3,(H2,14,15)
InChIKeyDFHNXTQWYURKTG-UHFFFAOYSA-N
XLogP1.94
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.94
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': '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-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-ethylacetamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-ethylacetamide (CID 54993048) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-ethylacetamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-ethylacetamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-ethylacetamide is CCN(CC/C(N)=N/O)C(=O)CC1CCCCC1.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-ethylacetamide?
The InChIKey is DFHNXTQWYURKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-16(9-8-12(14)15-18)13(17)10-11-6-4-3-5-7-11/h11,18H,2-10H2,1H3,(H2,14,15).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-ethylacetamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-ethylacetamide has a molecular weight of 255.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-cyclohexyl-N-ethylacetamide is sourced from PubChem (CID 54993048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).