(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide

C12H17ClN2O2 — CID 93368333

IUPAC(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
SMILESC[C@H](N)C(=O)N(C)CCOc1ccccc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-9(14)12(16)15(2)7-8-17-11-6-4-3-5-10(11)13/h3-6,9H,7-8,14H2,1-2H3/t9-/m0/s1
InChIKeyAFVZMZIYONVCBB-VIFPVBQESA-N
MW256.73 g/mol
LogP1.52
Rot. Bonds5

About (2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide

(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide (PubChem CID 93368333) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
PubChem CID93368333
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
SMILESC[C@H](N)C(=O)N(C)CCOc1ccccc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-9(14)12(16)15(2)7-8-17-11-6-4-3-5-10(11)13/h3-6,9H,7-8,14H2,1-2H3/t9-/m0/s1
InChIKeyAFVZMZIYONVCBB-VIFPVBQESA-N
XLogP1.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980
(2R)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpentanamide
CID 93368335
N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200106
5-[2-(2-chlorophenoxy)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62964900
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide
CID 81488980
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741559
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,3-dimethylpentanamide
CID 119731994
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 103604079
4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 62688700
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64524072

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide (CID 93368333) is (2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide is C[C@H](N)C(=O)N(C)CCOc1ccccc1Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide?
The InChIKey is AFVZMZIYONVCBB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-9(14)12(16)15(2)7-8-17-11-6-4-3-5-10(11)13/h3-6,9H,7-8,14H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide?
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide has a molecular weight of 256.73 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide is sourced from PubChem (CID 93368333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).