methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium

C25H30N3O2+ — CID 9327696

IUPACmethyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
SMILESC[C@H](C(=O)Nc1cccc2ccccc12)[NH+](C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C25H29N3O2/c1-19(25(29)26-23-12-7-10-20-8-3-5-11-22(20)23)27(2)18-21-9-4-6-13-24(21)28-14-16-30-17-15-28/h3-13,19H,14-18H2,1-2H3,(H,26,29)/p+1/t19-/m1/s1
InChIKeySMYLONZKYAXXKW-LJQANCHMSA-O
MW404.53 g/mol
LogP2.72
Rot. Bonds6

About methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium

methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium (PubChem CID 9327696) has the molecular formula C25H30N3O2+ and a molecular weight of 404.53 g/mol. Its IUPAC name is methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Namemethyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
PubChem CID9327696
Molecular FormulaC25H30N3O2+
Molecular Weight404.53 g/mol
Exact Mass404.23
IUPAC Namemethyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
SMILESC[C@H](C(=O)Nc1cccc2ccccc12)[NH+](C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C25H29N3O2/c1-19(25(29)26-23-12-7-10-20-8-3-5-11-22(20)23)27(2)18-21-9-4-6-13-24(21)28-14-16-30-17-15-28/h3-13,19H,14-18H2,1-2H3,(H,26,29)/p+1/t19-/m1/s1
InChIKeySMYLONZKYAXXKW-LJQANCHMSA-O
XLogP2.72
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium with MolForge

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Related Compounds

2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 8551611
2-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 60622169
2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
CID 107903089
methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 9434038
methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium
CID 9268106
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 8767300
2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylpropanamide
CID 46826008
2-morpholin-4-yl-N-naphthalen-1-ylpyridine-3-carboxamide
CID 34000334
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478

Frequently Asked Questions

What is the IUPAC name of methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium (CID 9327696) is methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium is C[C@H](C(=O)Nc1cccc2ccccc12)[NH+](C)Cc1ccccc1N1CCOCC1.
What is the InChIKey of methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is SMYLONZKYAXXKW-LJQANCHMSA-O. The full InChI is InChI=1S/C25H29N3O2/c1-19(25(29)26-23-12-7-10-20-8-3-5-11-22(20)23)27(2)18-21-9-4-6-13-24(21)28-14-16-30-17-15-28/h3-13,19H,14-18H2,1-2H3,(H,26,29)/p+1/t19-/m1/s1.
What are the key properties of methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium?
methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 404.53 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 9327696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).