3-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,2-dimethylpropanamide

C11H23ClN2O2 — CID 63665928

IUPAC3-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCOCCN(C)CCNC(=O)C(C)(C)CCl
InChIInChI=1S/C11H23ClN2O2/c1-11(2,9-12)10(15)13-5-6-14(3)7-8-16-4/h5-9H2,1-4H3,(H,13,15)
InChIKeyIYLDTWMSZIVURI-UHFFFAOYSA-N
MW250.77 g/mol
LogP0.95
Rot. Bonds8

About 3-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,2-dimethylpropanamide

3-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 63665928) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,2-dimethylpropanamide
PubChem CID63665928
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Name3-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCOCCN(C)CCNC(=O)C(C)(C)CCl
InChIInChI=1S/C11H23ClN2O2/c1-11(2,9-12)10(15)13-5-6-14(3)7-8-16-4/h5-9H2,1-4H3,(H,13,15)
InChIKeyIYLDTWMSZIVURI-UHFFFAOYSA-N
XLogP0.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 50.95
H-Bond Donors ≤ 51
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-methoxyethyl(methyl)amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,2-dimethylpropanamide (CID 63665928) is 3-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,2-dimethylpropanamide is COCCN(C)CCNC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is IYLDTWMSZIVURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2O2/c1-11(2,9-12)10(15)13-5-6-14(3)7-8-16-4/h5-9H2,1-4H3,(H,13,15).
What are the key properties of 3-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,2-dimethylpropanamide?
3-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 250.77 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 63665928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).