2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide

C13H19ClN2O — CID 81379327

IUPAC2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-4-16(3)13(17)9-15-10(2)11-7-5-6-8-12(11)14/h5-8,10,15H,4,9H2,1-3H3/t10-/m0/s1
InChIKeyFUPZEEQOBRQOCK-JTQLQIEISA-N
MW254.76 g/mol
LogP2.47
Rot. Bonds5

About 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide (PubChem CID 81379327) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
PubChem CID81379327
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-4-16(3)13(17)9-15-10(2)11-7-5-6-8-12(11)14/h5-8,10,15H,4,9H2,1-3H3/t10-/m0/s1
InChIKeyFUPZEEQOBRQOCK-JTQLQIEISA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-methyl-2-[1-(2,3,4-trichlorophenyl)ethylamino]acetamide
CID 104926715
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylacetamide
CID 9306428
N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide
CID 103916425
2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexyl-N-methylacetamide
CID 78825273
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-pentan-3-ylacetamide
CID 81377630
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8598681
N-ethyl-2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 60759691
2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]prop-2-enoic acid
CID 103260158
N-carbamoyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 81377573
N-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide
CID 78896142
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
N-ethyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
CID 81399721

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide (CID 81379327) is 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CN[C@@H](C)c1ccccc1Cl.
What is the InChIKey of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide?
The InChIKey is FUPZEEQOBRQOCK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-16(3)13(17)9-15-10(2)11-7-5-6-8-12(11)14/h5-8,10,15H,4,9H2,1-3H3/t10-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide?
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide has a molecular weight of 254.76 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 81379327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).