3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide

C10H19ClN2O2 — CID 63680934

IUPAC3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)C(C)(C)CCl
InChIInChI=1S/C10H19ClN2O2/c1-10(2,7-11)9(15)12-6-5-8(14)13(3)4/h5-7H2,1-4H3,(H,12,15)
InChIKeyYAPPPEJCZFXDHC-UHFFFAOYSA-N
MW234.73 g/mol
LogP0.85
Rot. Bonds5

About 3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide

3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 63680934) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID63680934
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC Name3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)C(C)(C)CCl
InChIInChI=1S/C10H19ClN2O2/c1-10(2,7-11)9(15)12-6-5-8(14)13(3)4/h5-7H2,1-4H3,(H,12,15)
InChIKeyYAPPPEJCZFXDHC-UHFFFAOYSA-N
XLogP0.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide (CID 63680934) is 3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide is CN(C)C(=O)CCNC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is YAPPPEJCZFXDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2/c1-10(2,7-11)9(15)12-6-5-8(14)13(3)4/h5-7H2,1-4H3,(H,12,15).
What are the key properties of 3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide?
3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 234.73 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 63680934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).