2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide

C13H20N2O2 — CID 63371338

IUPAC2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccccc1[C@H](C)O
InChIInChI=1S/C13H20N2O2/c1-4-15(9-13(17)14-3)12-8-6-5-7-11(12)10(2)16/h5-8,10,16H,4,9H2,1-3H3,(H,14,17)/t10-/m0/s1
InChIKeyJVGXOLAFDXPEOG-JTQLQIEISA-N
MW236.31 g/mol
LogP1.31
Rot. Bonds5

About 2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide

2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide (PubChem CID 63371338) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
PubChem CID63371338
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccccc1[C@H](C)O
InChIInChI=1S/C13H20N2O2/c1-4-15(9-13(17)14-3)12-8-6-5-7-11(12)10(2)16/h5-8,10,16H,4,9H2,1-3H3,(H,14,17)/t10-/m0/s1
InChIKeyJVGXOLAFDXPEOG-JTQLQIEISA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide
CID 82969371
2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
CID 63070317
(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol
CID 79477163
1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
2-[N-ethyl-2-fluoro-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940251
2-[2-bromo-N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940265
2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940268
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 63955607
(1R)-1-[2-[ethyl(furan-2-ylmethyl)amino]phenyl]ethanol
CID 55183202
(1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol
CID 55226911
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide
CID 82982515
2-[2-[(1S)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide
CID 63371318

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide?
The IUPAC name of 2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide (CID 63371338) is 2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide.
What is the SMILES notation for 2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide?
The canonical SMILES for 2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide is CCN(CC(=O)NC)c1ccccc1[C@H](C)O.
What is the InChIKey of 2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide?
The InChIKey is JVGXOLAFDXPEOG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-15(9-13(17)14-3)12-8-6-5-7-11(12)10(2)16/h5-8,10,16H,4,9H2,1-3H3,(H,14,17)/t10-/m0/s1.
What are the key properties of 2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide?
2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide is sourced from PubChem (CID 63371338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).