N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-cyclohexyl-N-methylacetamide

C13H25N3O2 — CID 54992235

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-cyclohexyl-N-methylacetamide
SMILESCC(CN(C)C(=O)CC1CCCCC1)/C(N)=N/O
InChIInChI=1S/C13H25N3O2/c1-10(13(14)15-18)9-16(2)12(17)8-11-6-4-3-5-7-11/h10-11,18H,3-9H2,1-2H3,(H2,14,15)
InChIKeyFTGYSFQOSDYUOA-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.80
Rot. Bonds5

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-cyclohexyl-N-methylacetamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-cyclohexyl-N-methylacetamide (PubChem CID 54992235) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-cyclohexyl-N-methylacetamide
PubChem CID54992235
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-cyclohexyl-N-methylacetamide
SMILESCC(CN(C)C(=O)CC1CCCCC1)/C(N)=N/O
InChIInChI=1S/C13H25N3O2/c1-10(13(14)15-18)9-16(2)12(17)8-11-6-4-3-5-7-11/h10-11,18H,3-9H2,1-2H3,(H2,14,15)
InChIKeyFTGYSFQOSDYUOA-UHFFFAOYSA-N
XLogP1.80
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.80
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-hydroxyimino-2-methylpropyl]-2-cyclohexyl-N-methylacetamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-cyclohexyl-N-methylacetamide (CID 54992235) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-cyclohexyl-N-methylacetamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-cyclohexyl-N-methylacetamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-cyclohexyl-N-methylacetamide is CC(CN(C)C(=O)CC1CCCCC1)/C(N)=N/O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-cyclohexyl-N-methylacetamide?
The InChIKey is FTGYSFQOSDYUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(13(14)15-18)9-16(2)12(17)8-11-6-4-3-5-7-11/h10-11,18H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-cyclohexyl-N-methylacetamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-cyclohexyl-N-methylacetamide has a molecular weight of 255.36 g/mol, XLogP of 1.80, 5 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-hydroxyimino-2-methylpropyl]-2-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 54992235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).