N-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxyacetamide

C12H21NO2 — CID 48874261

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCC1CC=CCC1
InChIInChI=1S/C12H21NO2/c1-10(2)15-9-12(14)13-8-11-6-4-3-5-7-11/h3-4,10-11H,5-9H2,1-2H3,(H,13,14)
InChIKeyIRYFFDULPXNTLX-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.88
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxyacetamide

N-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxyacetamide (PubChem CID 48874261) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxyacetamide
PubChem CID48874261
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCC1CC=CCC1
InChIInChI=1S/C12H21NO2/c1-10(2)15-9-12(14)13-8-11-6-4-3-5-7-11/h3-4,10-11H,5-9H2,1-2H3,(H,13,14)
InChIKeyIRYFFDULPXNTLX-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxyacetamide (CID 48874261) is N-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxyacetamide?
The InChIKey is IRYFFDULPXNTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(2)15-9-12(14)13-8-11-6-4-3-5-7-11/h3-4,10-11H,5-9H2,1-2H3,(H,13,14).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxyacetamide?
N-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxyacetamide has a molecular weight of 211.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 48874261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).