3-chloro-N-[2-[2-hydroxyethyl(methyl)amino]-2-methylpropyl]-2,2-dimethylpropanamide

C12H25ClN2O2 — CID 82108610

IUPAC3-chloro-N-[2-[2-hydroxyethyl(methyl)amino]-2-methylpropyl]-2,2-dimethylpropanamide
SMILESCN(CCO)C(C)(C)CNC(=O)C(C)(C)CCl
InChIInChI=1S/C12H25ClN2O2/c1-11(2,8-13)10(17)14-9-12(3,4)15(5)6-7-16/h16H,6-9H2,1-5H3,(H,14,17)
InChIKeyWLCKFBXOUJPPMN-UHFFFAOYSA-N
MW264.80 g/mol
LogP1.07
Rot. Bonds7

About 3-chloro-N-[2-[2-hydroxyethyl(methyl)amino]-2-methylpropyl]-2,2-dimethylpropanamide

3-chloro-N-[2-[2-hydroxyethyl(methyl)amino]-2-methylpropyl]-2,2-dimethylpropanamide (PubChem CID 82108610) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-hydroxyethyl(methyl)amino]-2-methylpropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-hydroxyethyl(methyl)amino]-2-methylpropyl]-2,2-dimethylpropanamide
PubChem CID82108610
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name3-chloro-N-[2-[2-hydroxyethyl(methyl)amino]-2-methylpropyl]-2,2-dimethylpropanamide
SMILESCN(CCO)C(C)(C)CNC(=O)C(C)(C)CCl
InChIInChI=1S/C12H25ClN2O2/c1-11(2,8-13)10(17)14-9-12(3,4)15(5)6-7-16/h16H,6-9H2,1-5H3,(H,14,17)
InChIKeyWLCKFBXOUJPPMN-UHFFFAOYSA-N
XLogP1.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-hydroxyethyl(methyl)amino]-2-methylpropyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[2-[2-hydroxyethyl(methyl)amino]-2-methylpropyl]-2,2-dimethylpropanamide (CID 82108610) is 3-chloro-N-[2-[2-hydroxyethyl(methyl)amino]-2-methylpropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-[2-hydroxyethyl(methyl)amino]-2-methylpropyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[2-[2-hydroxyethyl(methyl)amino]-2-methylpropyl]-2,2-dimethylpropanamide is CN(CCO)C(C)(C)CNC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-[2-[2-hydroxyethyl(methyl)amino]-2-methylpropyl]-2,2-dimethylpropanamide?
The InChIKey is WLCKFBXOUJPPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClN2O2/c1-11(2,8-13)10(17)14-9-12(3,4)15(5)6-7-16/h16H,6-9H2,1-5H3,(H,14,17).
What are the key properties of 3-chloro-N-[2-[2-hydroxyethyl(methyl)amino]-2-methylpropyl]-2,2-dimethylpropanamide?
3-chloro-N-[2-[2-hydroxyethyl(methyl)amino]-2-methylpropyl]-2,2-dimethylpropanamide has a molecular weight of 264.80 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-hydroxyethyl(methyl)amino]-2-methylpropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 82108610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).