(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide

C15H20ClN3O3 — CID 95317625

IUPAC(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N1CCO[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C15H20ClN3O3/c1-10(14(20)18-15(21)17-2)19-7-8-22-13(9-19)11-5-3-4-6-12(11)16/h3-6,10,13H,7-9H2,1-2H3,(H2,17,18,20,21)/t10-,13-/m0/s1
InChIKeyWMYNPKHUYFSZDM-GWCFXTLKSA-N
MW325.80 g/mol
LogP1.56
Rot. Bonds3

About (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide

(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 95317625) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide
PubChem CID95317625
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N1CCO[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C15H20ClN3O3/c1-10(14(20)18-15(21)17-2)19-7-8-22-13(9-19)11-5-3-4-6-12(11)16/h3-6,10,13H,7-9H2,1-2H3,(H2,17,18,20,21)/t10-,13-/m0/s1
InChIKeyWMYNPKHUYFSZDM-GWCFXTLKSA-N
XLogP1.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid
CID 125152344
2-(2-chlorophenyl)-N-(2-methylpropyl)morpholine-4-carboxamide
CID 110609422
methyl 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]morpholine-2-carboxylate
CID 78926451
(2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid
CID 124692219
(2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide
CID 95303634
(2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide
CID 94823361
3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride
CID 120500448
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
CID 110326823
(2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide
CID 99103788
(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
CID 8902343
(2S)-2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 35261539

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide (CID 95317625) is (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@H](C)N1CCO[C@H](c2ccccc2Cl)C1.
What is the InChIKey of (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is WMYNPKHUYFSZDM-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-10(14(20)18-15(21)17-2)19-7-8-22-13(9-19)11-5-3-4-6-12(11)16/h3-6,10,13H,7-9H2,1-2H3,(H2,17,18,20,21)/t10-,13-/m0/s1.
What are the key properties of (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide?
(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 325.80 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 95317625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).