3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-hydroxypropanamide

C12H22N2O2 — CID 106171929

IUPAC3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-hydroxypropanamide
SMILESCC1=CC(C)CC(CNCC(O)C(N)=O)C1
InChIInChI=1S/C12H22N2O2/c1-8-3-9(2)5-10(4-8)6-14-7-11(15)12(13)16/h3,8,10-11,14-15H,4-7H2,1-2H3,(H2,13,16)
InChIKeyQOZRGKCCSCPFMX-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.41
Rot. Bonds5

About 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-hydroxypropanamide

3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-hydroxypropanamide (PubChem CID 106171929) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-hydroxypropanamide
PubChem CID106171929
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-hydroxypropanamide
SMILESCC1=CC(C)CC(CNCC(O)C(N)=O)C1
InChIInChI=1S/C12H22N2O2/c1-8-3-9(2)5-10(4-8)6-14-7-11(15)12(13)16/h3,8,10-11,14-15H,4-7H2,1-2H3,(H2,13,16)
InChIKeyQOZRGKCCSCPFMX-UHFFFAOYSA-N
XLogP0.41
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-hydroxypropanamide (CID 106171929) is 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-hydroxypropanamide is CC1=CC(C)CC(CNCC(O)C(N)=O)C1.
What is the InChIKey of 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-hydroxypropanamide?
The InChIKey is QOZRGKCCSCPFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8-3-9(2)5-10(4-8)6-14-7-11(15)12(13)16/h3,8,10-11,14-15H,4-7H2,1-2H3,(H2,13,16).
What are the key properties of 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-hydroxypropanamide?
3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-hydroxypropanamide has a molecular weight of 226.32 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106171929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).