N-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide

C16H22N2O2 — CID 146567949

IUPACN-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)/N=C(\N)C2CCOCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-11(2)12-3-5-14(6-4-12)16(19)18-15(17)13-7-9-20-10-8-13/h3-6,11,13H,7-10H2,1-2H3,(H2,17,18,19)
InChIKeyJNYRFGGPRBPEGI-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.73
Rot. Bonds3

About N-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide

N-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide (PubChem CID 146567949) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide
PubChem CID146567949
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)/N=C(\N)C2CCOCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-11(2)12-3-5-14(6-4-12)16(19)18-15(17)13-7-9-20-10-8-13/h3-6,11,13H,7-10H2,1-2H3,(H2,17,18,19)
InChIKeyJNYRFGGPRBPEGI-UHFFFAOYSA-N
XLogP2.73
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide?
The IUPAC name of N-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide (CID 146567949) is N-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)/N=C(\N)C2CCOCC2)cc1.
What is the InChIKey of N-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide?
The InChIKey is JNYRFGGPRBPEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)12-3-5-14(6-4-12)16(19)18-15(17)13-7-9-20-10-8-13/h3-6,11,13H,7-10H2,1-2H3,(H2,17,18,19).
What are the key properties of N-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide?
N-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide has a molecular weight of 274.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(oxan-4-yl)methylidene]-4-propan-2-ylbenzamide is sourced from PubChem (CID 146567949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).