(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide

C17H26ClN3O2 — CID 95327938

IUPAC(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide
SMILESC[C@H](NC[C@@H]1CN(C)CCO1)C(=O)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN3O2/c1-12(14-4-6-15(18)7-5-14)20-17(22)13(2)19-10-16-11-21(3)8-9-23-16/h4-7,12-13,16,19H,8-11H2,1-3H3,(H,20,22)/t12-,13-,16+/m0/s1
InChIKeyRAGOJZRZBLPWFR-HEHGZKQESA-N
MW339.87 g/mol
LogP1.83
Rot. Bonds6

About (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide

(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide (PubChem CID 95327938) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide
PubChem CID95327938
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide
SMILESC[C@H](NC[C@@H]1CN(C)CCO1)C(=O)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN3O2/c1-12(14-4-6-15(18)7-5-14)20-17(22)13(2)19-10-16-11-21(3)8-9-23-16/h4-7,12-13,16,19H,8-11H2,1-3H3,(H,20,22)/t12-,13-,16+/m0/s1
InChIKeyRAGOJZRZBLPWFR-HEHGZKQESA-N
XLogP1.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide
CID 95612094
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]acetamide
CID 95336812
N-methyl-2-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945377
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 138010008
2-[(4-methylmorpholin-2-yl)methylamino]propanoic acid
CID 78967405
(1R)-1-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81359066
1-(3,4-dichlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 78960515
2-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945177
1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 83069145
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
(2R)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 95293289
(1R)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327851

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide?
The IUPAC name of (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide (CID 95327938) is (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide is C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)N[C@@H](C)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide?
The InChIKey is RAGOJZRZBLPWFR-HEHGZKQESA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-12(14-4-6-15(18)7-5-14)20-17(22)13(2)19-10-16-11-21(3)8-9-23-16/h4-7,12-13,16,19H,8-11H2,1-3H3,(H,20,22)/t12-,13-,16+/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide?
(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide has a molecular weight of 339.87 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide is sourced from PubChem (CID 95327938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).