N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide

C17H26ClN3O2 — CID 95332208

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
SMILESC[C@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN3O2/c1-13(14-4-6-15(18)7-5-14)19-17(22)12-21-8-9-23-16(11-21)10-20(2)3/h4-7,13,16H,8-12H2,1-3H3,(H,19,22)/t13-,16+/m0/s1
InChIKeyVECJSHWIQDBQEM-XJKSGUPXSA-N
MW339.87 g/mol
LogP1.78
Rot. Bonds6

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide (PubChem CID 95332208) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
PubChem CID95332208
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
SMILESC[C@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN3O2/c1-13(14-4-6-15(18)7-5-14)19-17(22)12-21-8-9-23-16(11-21)10-20(2)3/h4-7,13,16H,8-12H2,1-3H3,(H,19,22)/t13-,16+/m0/s1
InChIKeyVECJSHWIQDBQEM-XJKSGUPXSA-N
XLogP1.78
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95611859
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95348606
N-[1-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79834633
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]acetamide
CID 95336812
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 31502166
2-(4-aminopiperidin-1-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 81353847
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 79328175
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8904136
N-[1-(4-chlorophenyl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 42914266
N-[1-(4-chlorophenyl)ethyl]-2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)acetamide
CID 139009077
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 46677677
2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid
CID 66433081

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide (CID 95332208) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide is C[C@H](NC(=O)CN1CCO[C@H](CN(C)C)C1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
The InChIKey is VECJSHWIQDBQEM-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-13(14-4-6-15(18)7-5-14)19-17(22)12-21-8-9-23-16(11-21)10-20(2)3/h4-7,13,16H,8-12H2,1-3H3,(H,19,22)/t13-,16+/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide has a molecular weight of 339.87 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 95332208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).