(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide

C17H25ClN2O3 — CID 129423990

IUPAC(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide
SMILESC[C@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)N1CCOC[C@H]1C
InChIInChI=1S/C17H25ClN2O3/c1-12(20-7-8-23-11-13(20)2)10-19-17(22)9-16(21)14-3-5-15(18)6-4-14/h3-6,12-13,16,21H,7-11H2,1-2H3,(H,19,22)/t12-,13-,16-/m1/s1
InChIKeyRNYDJRXDSJIJGK-XJKCOSOUSA-N
MW340.85 g/mol
LogP1.99
Rot. Bonds6

About (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide

(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide (PubChem CID 129423990) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide
PubChem CID129423990
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide
SMILESC[C@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)N1CCOC[C@H]1C
InChIInChI=1S/C17H25ClN2O3/c1-12(20-7-8-23-11-13(20)2)10-19-17(22)9-16(21)14-3-5-15(18)6-4-14/h3-6,12-13,16,21H,7-11H2,1-2H3,(H,19,22)/t12-,13-,16-/m1/s1
InChIKeyRNYDJRXDSJIJGK-XJKCOSOUSA-N
XLogP1.99
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 86941061
3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide
CID 98799112
cis-(1S,2R)-2-methyl-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]cyclopropane-1-carboxamide
CID 124803825
3-(4-ethoxyphenyl)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide
CID 95326565
1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 62628763
1-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-3-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]urea
CID 100838892
(2S)-2-[(3R)-3-methylmorpholin-4-yl]-N-[(1S)-1-(4-nitrophenyl)ethyl]propan-1-amine
CID 97322388
4-(2,5-difluorophenyl)-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 109450574
3-methyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-nitrobenzamide
CID 95339521
2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide
CID 96528871
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]urea
CID 124866504
N-(3-chlorophenyl)-6-[2-(3-methylmorpholin-4-yl)propylamino]pyridine-3-carboxamide
CID 133302708

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide?
The IUPAC name of (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide (CID 129423990) is (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide is C[C@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)N1CCOC[C@H]1C.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide?
The InChIKey is RNYDJRXDSJIJGK-XJKCOSOUSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-12(20-7-8-23-11-13(20)2)10-19-17(22)9-16(21)14-3-5-15(18)6-4-14/h3-6,12-13,16,21H,7-11H2,1-2H3,(H,19,22)/t12-,13-,16-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide?
(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide has a molecular weight of 340.85 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide is sourced from PubChem (CID 129423990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).