2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide

C21H26ClN3O3 — CID 34536248

IUPAC2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNC[C@H](c2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C21H26ClN3O3/c22-19-4-2-1-3-18(19)20(25-9-11-27-12-10-25)14-24-13-16-5-7-17(8-6-16)28-15-21(23)26/h1-8,20,24H,9-15H2,(H2,23,26)/t20-/m1/s1
InChIKeyVQMZDRKEJZRWEI-HXUWFJFHSA-N
MW403.91 g/mol
LogP2.37
Rot. Bonds9

About 2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide

2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide (PubChem CID 34536248) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide
PubChem CID34536248
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNC[C@H](c2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C21H26ClN3O3/c22-19-4-2-1-3-18(19)20(25-9-11-27-12-10-25)14-24-13-16-5-7-17(8-6-16)28-15-21(23)26/h1-8,20,24H,9-15H2,(H2,23,26)/t20-/m1/s1
InChIKeyVQMZDRKEJZRWEI-HXUWFJFHSA-N
XLogP2.37
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide with MolForge

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Related Compounds

4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid
CID 122030156
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 17012218
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide
CID 35041725
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide;hydrochloride
CID 52985007
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
2-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 78903826
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropan-1-amine
CID 83380866
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(3-methylphenoxy)acetamide
CID 35341646
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 35043337
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide
CID 35041682
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide (CID 34536248) is 2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide is NC(=O)COc1ccc(CNC[C@H](c2ccccc2Cl)N2CCOCC2)cc1.
What is the InChIKey of 2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide?
The InChIKey is VQMZDRKEJZRWEI-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c22-19-4-2-1-3-18(19)20(25-9-11-27-12-10-25)14-24-13-16-5-7-17(8-6-16)28-15-21(23)26/h1-8,20,24H,9-15H2,(H2,23,26)/t20-/m1/s1.
What are the key properties of 2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide?
2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide has a molecular weight of 403.91 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 34536248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).