2-cyclohex-3-en-1-yl-2-(4-methylanilino)acetamide

C15H20N2O — CID 54889426

IUPAC2-cyclohex-3-en-1-yl-2-(4-methylanilino)acetamide
SMILESCc1ccc(NC(C(N)=O)C2CC=CCC2)cc1
InChIInChI=1S/C15H20N2O/c1-11-7-9-13(10-8-11)17-14(15(16)18)12-5-3-2-4-6-12/h2-3,7-10,12,14,17H,4-6H2,1H3,(H2,16,18)
InChIKeyADDFYXYCTDHMTO-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.62
Rot. Bonds4

About 2-cyclohex-3-en-1-yl-2-(4-methylanilino)acetamide

2-cyclohex-3-en-1-yl-2-(4-methylanilino)acetamide (PubChem CID 54889426) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-2-(4-methylanilino)acetamide.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-2-(4-methylanilino)acetamide
PubChem CID54889426
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-cyclohex-3-en-1-yl-2-(4-methylanilino)acetamide
SMILESCc1ccc(NC(C(N)=O)C2CC=CCC2)cc1
InChIInChI=1S/C15H20N2O/c1-11-7-9-13(10-8-11)17-14(15(16)18)12-5-3-2-4-6-12/h2-3,7-10,12,14,17H,4-6H2,1H3,(H2,16,18)
InChIKeyADDFYXYCTDHMTO-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
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 2-cyclohex-3-en-1-yl-2-(4-methylanilino)acetamide?
The IUPAC name of 2-cyclohex-3-en-1-yl-2-(4-methylanilino)acetamide (CID 54889426) is 2-cyclohex-3-en-1-yl-2-(4-methylanilino)acetamide.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-2-(4-methylanilino)acetamide?
The canonical SMILES for 2-cyclohex-3-en-1-yl-2-(4-methylanilino)acetamide is Cc1ccc(NC(C(N)=O)C2CC=CCC2)cc1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-2-(4-methylanilino)acetamide?
The InChIKey is ADDFYXYCTDHMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-7-9-13(10-8-11)17-14(15(16)18)12-5-3-2-4-6-12/h2-3,7-10,12,14,17H,4-6H2,1H3,(H2,16,18).
What are the key properties of 2-cyclohex-3-en-1-yl-2-(4-methylanilino)acetamide?
2-cyclohex-3-en-1-yl-2-(4-methylanilino)acetamide has a molecular weight of 244.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-2-(4-methylanilino)acetamide is sourced from PubChem (CID 54889426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).