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

C8H15ClN2O2 — CID 60948700

IUPAC3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide
SMILESCCNC(=O)CN(C)C(=O)CCCl
InChIInChI=1S/C8H15ClN2O2/c1-3-10-7(12)6-11(2)8(13)4-5-9/h3-6H2,1-2H3,(H,10,12)
InChIKeySJFPGEDLDMXXBB-UHFFFAOYSA-N
MW206.67 g/mol
LogP0.21
Rot. Bonds5

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

3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 60948700) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide
PubChem CID60948700
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide
SMILESCCNC(=O)CN(C)C(=O)CCCl
InChIInChI=1S/C8H15ClN2O2/c1-3-10-7(12)6-11(2)8(13)4-5-9/h3-6H2,1-2H3,(H,10,12)
InChIKeySJFPGEDLDMXXBB-UHFFFAOYSA-N
XLogP0.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide
CID 107025957
3-[[2-(ethylamino)-2-oxoethyl]-methylamino]-3-oxopropanoic acid
CID 62230429
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-2-(propylamino)acetamide
CID 55207779
2-amino-N-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide
CID 60963649
2-[[5-(ethylamino)-5-oxopentanoyl]-methylamino]acetic acid
CID 115729847
2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
CID 61327311
N-[2-(ethylamino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 61150518
2-[diethylcarbamoyl(methyl)amino]-N-ethylacetamide
CID 115618628
2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide
CID 60963182
3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428599
2-[[2-[acetyl(methyl)amino]acetyl]amino]-N-ethylacetamide
CID 143168643
N-ethyl-2-[ethyl(methyl)amino]acetamide;hydrochloride
CID 130736747

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide (CID 60948700) is 3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide is CCNC(=O)CN(C)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is SJFPGEDLDMXXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O2/c1-3-10-7(12)6-11(2)8(13)4-5-9/h3-6H2,1-2H3,(H,10,12).
What are the key properties of 3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide?
3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 206.67 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 60948700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).