2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C16H22Cl2N2O2 — CID 51934800

IUPAC2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESC[C@@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C16H22Cl2N2O2/c1-11(14-6-5-12(17)8-15(14)18)20(2)10-16(21)19-9-13-4-3-7-22-13/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3,(H,19,21)/t11-,13-/m0/s1
InChIKeyQMSUZZYMGHTLOI-AAEUAGOBSA-N
MW345.27 g/mol
LogP3.28
Rot. Bonds6

About 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 51934800) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID51934800
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESC[C@@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C16H22Cl2N2O2/c1-11(14-6-5-12(17)8-15(14)18)20(2)10-16(21)19-9-13-4-3-7-22-13/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3,(H,19,21)/t11-,13-/m0/s1
InChIKeyQMSUZZYMGHTLOI-AAEUAGOBSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2235690
N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943767
2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113171488
2-[[[1-(2,4-dichlorophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110037829
3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 110297555
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1135711
2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 55569034
2-(4-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 976928
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 108994371
2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 60504402
2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3144142
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1276390

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 51934800) is 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is C[C@@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is QMSUZZYMGHTLOI-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-11(14-6-5-12(17)8-15(14)18)20(2)10-16(21)19-9-13-4-3-7-22-13/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3,(H,19,21)/t11-,13-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 345.27 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 51934800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).