(2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide

C15H23N2O2+ — CID 9275992

IUPAC(2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide
SMILESCc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCOCC1
InChIInChI=1S/C15H22N2O2/c1-11-5-4-6-12(2)14(11)16-15(18)13(3)17-7-9-19-10-8-17/h4-6,13H,7-10H2,1-3H3,(H,16,18)/p+1/t13-/m0/s1
InChIKeyGLMJESDHTWLHAP-ZDUSSCGKSA-O
MW263.36 g/mol
LogP0.55
Rot. Bonds3

About (2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide

(2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide (PubChem CID 9275992) has the molecular formula C15H23N2O2+ and a molecular weight of 263.36 g/mol. Its IUPAC name is (2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide
PubChem CID9275992
Molecular FormulaC15H23N2O2+
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name(2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide
SMILESCc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCOCC1
InChIInChI=1S/C15H22N2O2/c1-11-5-4-6-12(2)14(11)16-15(18)13(3)17-7-9-19-10-8-17/h4-6,13H,7-10H2,1-3H3,(H,16,18)/p+1/t13-/m0/s1
InChIKeyGLMJESDHTWLHAP-ZDUSSCGKSA-O
XLogP0.55
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylpropanamide
CID 9275850
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)propanamide
CID 9445040
(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 9276131
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-piperidin-1-ium-1-ylpropanamide
CID 9032781
(2S)-2-(azepan-1-ium-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9032997
(2R)-N-(2,6-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9249376
(2R)-N-(2,6-dimethylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide
CID 9493399
1-[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide
CID 9442937
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
(2R)-N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9430413
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 9034770
(2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 8725307

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide?
The IUPAC name of (2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide (CID 9275992) is (2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide.
What is the SMILES notation for (2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide?
The canonical SMILES for (2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide is Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCOCC1.
What is the InChIKey of (2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide?
The InChIKey is GLMJESDHTWLHAP-ZDUSSCGKSA-O. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-4-6-12(2)14(11)16-15(18)13(3)17-7-9-19-10-8-17/h4-6,13H,7-10H2,1-3H3,(H,16,18)/p+1/t13-/m0/s1.
What are the key properties of (2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide?
(2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide has a molecular weight of 263.36 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide is sourced from PubChem (CID 9275992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).