2-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]acetamide

C17H24N2O — CID 103276395

IUPAC2-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]acetamide
SMILESCC1=CC(C)CC(CNc2ccc(CC(N)=O)cc2)C1
InChIInChI=1S/C17H24N2O/c1-12-7-13(2)9-15(8-12)11-19-16-5-3-14(4-6-16)10-17(18)20/h3-7,12,15,19H,8-11H2,1-2H3,(H2,18,20)
InChIKeyFOCONEVFASGYCG-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.12
Rot. Bonds5

About 2-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]acetamide

2-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]acetamide (PubChem CID 103276395) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]acetamide
PubChem CID103276395
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]acetamide
SMILESCC1=CC(C)CC(CNc2ccc(CC(N)=O)cc2)C1
InChIInChI=1S/C17H24N2O/c1-12-7-13(2)9-15(8-12)11-19-16-5-3-14(4-6-16)10-17(18)20/h3-7,12,15,19H,8-11H2,1-2H3,(H2,18,20)
InChIKeyFOCONEVFASGYCG-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.12
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-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]acetamide?
The IUPAC name of 2-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]acetamide (CID 103276395) is 2-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]acetamide is CC1=CC(C)CC(CNc2ccc(CC(N)=O)cc2)C1.
What is the InChIKey of 2-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]acetamide?
The InChIKey is FOCONEVFASGYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-7-13(2)9-15(8-12)11-19-16-5-3-14(4-6-16)10-17(18)20/h3-7,12,15,19H,8-11H2,1-2H3,(H2,18,20).
What are the key properties of 2-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]acetamide?
2-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]acetamide has a molecular weight of 272.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 103276395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).