3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide

C10H21ClN2O — CID 82945442

IUPAC3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide
SMILESCC(CN(C)C)NC(=O)C(C)(C)CCl
InChIInChI=1S/C10H21ClN2O/c1-8(6-13(4)5)12-9(14)10(2,3)7-11/h8H,6-7H2,1-5H3,(H,12,14)
InChIKeyOPUPBWXCPTWBDP-UHFFFAOYSA-N
MW220.74 g/mol
LogP1.32
Rot. Bonds5

About 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide

3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide (PubChem CID 82945442) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide
PubChem CID82945442
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Name3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide
SMILESCC(CN(C)C)NC(=O)C(C)(C)CCl
InChIInChI=1S/C10H21ClN2O/c1-8(6-13(4)5)12-9(14)10(2,3)7-11/h8H,6-7H2,1-5H3,(H,12,14)
InChIKeyOPUPBWXCPTWBDP-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide (CID 82945442) is 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide is CC(CN(C)C)NC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is OPUPBWXCPTWBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O/c1-8(6-13(4)5)12-9(14)10(2,3)7-11/h8H,6-7H2,1-5H3,(H,12,14).
What are the key properties of 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide?
3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 220.74 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 82945442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).