(2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide

C26H36N3O3+ — CID 7051561

IUPAC(2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide
SMILESCc1cc(OCC[NH+]2CCOCC2)c(C)c2c1CC[C@@H]([C@H](C)C(=O)Nc1ccccn1)C2
InChIInChI=1S/C26H35N3O3/c1-18-16-24(32-15-12-29-10-13-31-14-11-29)20(3)23-17-21(7-8-22(18)23)19(2)26(30)28-25-6-4-5-9-27-25/h4-6,9,16,19,21H,7-8,10-15,17H2,1-3H3,(H,27,28,30)/p+1/t19-,21+/m0/s1
InChIKeyIXROISZEMQBGIM-PZJWPPBQSA-O
MW438.59 g/mol
LogP2.37
Rot. Bonds7

About (2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide

(2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide (PubChem CID 7051561) has the molecular formula C26H36N3O3+ and a molecular weight of 438.59 g/mol. Its IUPAC name is (2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide
PubChem CID7051561
Molecular FormulaC26H36N3O3+
Molecular Weight438.59 g/mol
Exact Mass438.28
IUPAC Name(2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide
SMILESCc1cc(OCC[NH+]2CCOCC2)c(C)c2c1CC[C@@H]([C@H](C)C(=O)Nc1ccccn1)C2
InChIInChI=1S/C26H35N3O3/c1-18-16-24(32-15-12-29-10-13-31-14-11-29)20(3)23-17-21(7-8-22(18)23)19(2)26(30)28-25-6-4-5-9-27-25/h4-6,9,16,19,21H,7-8,10-15,17H2,1-3H3,(H,27,28,30)/p+1/t19-,21+/m0/s1
InChIKeyIXROISZEMQBGIM-PZJWPPBQSA-O
XLogP2.37
TPSA64.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide with MolForge

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Related Compounds

(2S)-N-tert-butyl-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 7135357
(2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide
CID 7135455
2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 7135426
(2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 23651410
(2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 26763381
2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 3743524
2-[[7-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 3704249
(2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 26763396
(2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 7018317
2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 134787155
2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 3719827
[1-(2-chloro-3-pyridinyl)triazol-4-yl]methyl (2R)-2-[(2R)-7-acetyloxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
CID 134156515

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of (2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide (CID 7051561) is (2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for (2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide is Cc1cc(OCC[NH+]2CCOCC2)c(C)c2c1CC[C@@H]([C@H](C)C(=O)Nc1ccccn1)C2.
What is the InChIKey of (2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is IXROISZEMQBGIM-PZJWPPBQSA-O. The full InChI is InChI=1S/C26H35N3O3/c1-18-16-24(32-15-12-29-10-13-31-14-11-29)20(3)23-17-21(7-8-22(18)23)19(2)26(30)28-25-6-4-5-9-27-25/h4-6,9,16,19,21H,7-8,10-15,17H2,1-3H3,(H,27,28,30)/p+1/t19-,21+/m0/s1.
What are the key properties of (2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide?
(2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 438.59 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 7051561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).