(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide

C16H25N2O3+ — CID 9249004

IUPAC(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C16H24N2O3/c1-11-9-18(10-12(2)21-11)13(3)16(19)17-14-5-7-15(20-4)8-6-14/h5-8,11-13H,9-10H2,1-4H3,(H,17,19)/p+1/t11-,12-,13-/m0/s1
InChIKeyUMWUYAPMIBWLEL-AVGNSLFASA-O
MW293.39 g/mol
LogP0.71
Rot. Bonds4

About (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide

(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide (PubChem CID 9249004) has the molecular formula C16H25N2O3+ and a molecular weight of 293.39 g/mol. Its IUPAC name is (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide
PubChem CID9249004
Molecular FormulaC16H25N2O3+
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C16H24N2O3/c1-11-9-18(10-12(2)21-11)13(3)16(19)17-14-5-7-15(20-4)8-6-14/h5-8,11-13H,9-10H2,1-4H3,(H,17,19)/p+1/t11-,12-,13-/m0/s1
InChIKeyUMWUYAPMIBWLEL-AVGNSLFASA-O
XLogP0.71
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 9443950
(2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
CID 9248974
(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide
CID 9249008
(2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 9250159
ethyl 4-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate
CID 9431116
(2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)propanamide
CID 9494130
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide
CID 8933608
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
CID 8899041
(2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide
CID 9493902
N-(4-methoxyphenyl)-2-(oxan-4-yl)propanamide
CID 110876397
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 2378377
trans-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 26769254

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide (CID 9249004) is (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide?
The InChIKey is UMWUYAPMIBWLEL-AVGNSLFASA-O. The full InChI is InChI=1S/C16H24N2O3/c1-11-9-18(10-12(2)21-11)13(3)16(19)17-14-5-7-15(20-4)8-6-14/h5-8,11-13H,9-10H2,1-4H3,(H,17,19)/p+1/t11-,12-,13-/m0/s1.
What are the key properties of (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide?
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide has a molecular weight of 293.39 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 9249004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).