(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide

C15H21ClN2O2 — CID 98938107

IUPAC(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESC[C@H](C(=O)Nc1cccc(Cl)c1)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H21ClN2O2/c1-10-8-18(9-11(2)20-10)12(3)15(19)17-14-6-4-5-13(16)7-14/h4-7,10-12H,8-9H2,1-3H3,(H,17,19)/t10-,11-,12+/m0/s1
InChIKeyONTYSXQODAKECR-SDDRHHMPSA-N
MW296.80 g/mol
LogP2.78
Rot. Bonds3

About (2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide

(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide (PubChem CID 98938107) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
PubChem CID98938107
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESC[C@H](C(=O)Nc1cccc(Cl)c1)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H21ClN2O2/c1-10-8-18(9-11(2)20-10)12(3)15(19)17-14-6-4-5-13(16)7-14/h4-7,10-12H,8-9H2,1-3H3,(H,17,19)/t10-,11-,12+/m0/s1
InChIKeyONTYSXQODAKECR-SDDRHHMPSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083488
(2R)-N-(3-chlorophenyl)-2-[(2S)-2-methylmorpholin-4-yl]propanamide
CID 51731055
2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide
CID 47145118
(2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 8900075
(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 99850769
N-(2,4-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 3893745
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
(2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 9249033
N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778971
N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47005800
N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46631115
N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104957908

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
The IUPAC name of (2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide (CID 98938107) is (2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide.
What is the SMILES notation for (2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
The canonical SMILES for (2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide is C[C@H](C(=O)Nc1cccc(Cl)c1)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of (2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
The InChIKey is ONTYSXQODAKECR-SDDRHHMPSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10-8-18(9-11(2)20-10)12(3)15(19)17-14-6-4-5-13(16)7-14/h4-7,10-12H,8-9H2,1-3H3,(H,17,19)/t10-,11-,12+/m0/s1.
What are the key properties of (2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide has a molecular weight of 296.80 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide is sourced from PubChem (CID 98938107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).