3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpropanamide

C8H15ClN2O2 — CID 43375064

IUPAC3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpropanamide
SMILESCN(C)C(=O)CN(C)C(=O)CCCl
InChIInChI=1S/C8H15ClN2O2/c1-10(2)8(13)6-11(3)7(12)4-5-9/h4-6H2,1-3H3
InChIKeyKJLJETWSTRMYTJ-UHFFFAOYSA-N
MW206.67 g/mol
LogP0.16
Rot. Bonds4

About 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpropanamide

3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 43375064) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpropanamide
PubChem CID43375064
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpropanamide
SMILESCN(C)C(=O)CN(C)C(=O)CCCl
InChIInChI=1S/C8H15ClN2O2/c1-10(2)8(13)6-11(3)7(12)4-5-9/h4-6H2,1-3H3
InChIKeyKJLJETWSTRMYTJ-UHFFFAOYSA-N
XLogP0.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-1-(4-methylpiperazin-1-yl)propan-1-one
CID 414480
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 54875600
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 54875610
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 55110769
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 63665265
3-Chloro-1-(4-methylpiperazin-1-yl)propane-1,2-dione
CID 20547456
3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 43375057
1,4-Bis(3-chloropropyl)piperazine-2,5-dione
CID 68681660
N,N,N',N'-tetrakis(3-chloropropyl)oxamide
CID 88913937
1-(3-Chloropropyl)-4-methylpiperazin-2-one
CID 90288503
(3S)-1-(3-chloropropyl)-3,4-dimethylpiperazine-2,5-dione
CID 177936592
1-(4-Acetylpiperazin-1-yl)-3-chloropropan-1-one
CID 16784209

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpropanamide (CID 43375064) is 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpropanamide is CN(C)C(=O)CN(C)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is KJLJETWSTRMYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O2/c1-10(2)8(13)6-11(3)7(12)4-5-9/h4-6H2,1-3H3.
What are the key properties of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpropanamide?
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 206.67 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 43375064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).