2-(2-chloropropanoylamino)-N,N-dimethylpropanamide

C8H15ClN2O2 — CID 43578901

IUPAC2-(2-chloropropanoylamino)-N,N-dimethylpropanamide
SMILESCC(Cl)C(=O)NC(C)C(=O)N(C)C
InChIInChI=1S/C8H15ClN2O2/c1-5(9)7(12)10-6(2)8(13)11(3)4/h5-6H,1-4H3,(H,10,12)
InChIKeyYNPOSHSEBHMHND-UHFFFAOYSA-N
MW206.67 g/mol
LogP0.21
Rot. Bonds3

About 2-(2-chloropropanoylamino)-N,N-dimethylpropanamide

2-(2-chloropropanoylamino)-N,N-dimethylpropanamide (PubChem CID 43578901) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 2-(2-chloropropanoylamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2-chloropropanoylamino)-N,N-dimethylpropanamide
PubChem CID43578901
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name2-(2-chloropropanoylamino)-N,N-dimethylpropanamide
SMILESCC(Cl)C(=O)NC(C)C(=O)N(C)C
InChIInChI=1S/C8H15ClN2O2/c1-5(9)7(12)10-6(2)8(13)11(3)4/h5-6H,1-4H3,(H,10,12)
InChIKeyYNPOSHSEBHMHND-UHFFFAOYSA-N
XLogP0.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 43578902
(2R)-N,N-dimethyl-2-(methylcarbamoylamino)propanamide
CID 59006567
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]butanamide
CID 43649658
4-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid;molecular iodine
CID 159697138
methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 13269666
methyl 2-(2-chloropropanoylamino)propanoate
CID 60780321
N-[1-(dimethylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-methylbutanediamide
CID 20681358
N-[1-(dimethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-methylbutanediamide
CID 20680994
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 60730592
(2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide
CID 97027657
N,N-dimethyl-2-(propan-2-ylamino)propanamide
CID 43085810
2-(3-aminopropanoylamino)-N,N-dimethylpropanamide
CID 43579388

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropropanoylamino)-N,N-dimethylpropanamide?
The IUPAC name of 2-(2-chloropropanoylamino)-N,N-dimethylpropanamide (CID 43578901) is 2-(2-chloropropanoylamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2-chloropropanoylamino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2-chloropropanoylamino)-N,N-dimethylpropanamide is CC(Cl)C(=O)NC(C)C(=O)N(C)C.
What is the InChIKey of 2-(2-chloropropanoylamino)-N,N-dimethylpropanamide?
The InChIKey is YNPOSHSEBHMHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O2/c1-5(9)7(12)10-6(2)8(13)11(3)4/h5-6H,1-4H3,(H,10,12).
What are the key properties of 2-(2-chloropropanoylamino)-N,N-dimethylpropanamide?
2-(2-chloropropanoylamino)-N,N-dimethylpropanamide has a molecular weight of 206.67 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropropanoylamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 43578901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).