[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium

C23H27N2O2+ — CID 8695295

IUPAC[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium
SMILESCOc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc3ccccc23)cc1
InChIInChI=1S/C23H26N2O2/c1-16(21-10-6-8-19-7-4-5-9-22(19)21)25-17(2)23(26)24-15-18-11-13-20(27-3)14-12-18/h4-14,16-17,25H,15H2,1-3H3,(H,24,26)/p+1/t16-,17+/m0/s1
InChIKeyXEMTZQWPPNWKHP-DLBZAZTESA-O
MW363.48 g/mol
LogP3.18
Rot. Bonds7

About [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium

[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium (PubChem CID 8695295) has the molecular formula C23H27N2O2+ and a molecular weight of 363.48 g/mol. Its IUPAC name is [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium.

Molecular Properties

Compound Name[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium
PubChem CID8695295
Molecular FormulaC23H27N2O2+
Molecular Weight363.48 g/mol
Exact Mass363.21
IUPAC Name[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium
SMILESCOc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc3ccccc23)cc1
InChIInChI=1S/C23H26N2O2/c1-16(21-10-6-8-19-7-4-5-9-22(19)21)25-17(2)23(26)24-15-18-11-13-20(27-3)14-12-18/h4-14,16-17,25H,15H2,1-3H3,(H,24,26)/p+1/t16-,17+/m0/s1
InChIKeyXEMTZQWPPNWKHP-DLBZAZTESA-O
XLogP3.18
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium with MolForge

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Related Compounds

[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]azanium
CID 8639404
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 8695317
[(1S)-1-(3,4-difluorophenyl)ethyl]-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]azanium
CID 8638025
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 7785254
(2R)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 26002941
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 43915994
[(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]azanium
CID 8643309
[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397161
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
The IUPAC name of [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium (CID 8695295) is [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium.
What is the SMILES notation for [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
The canonical SMILES for [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium is COc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc3ccccc23)cc1.
What is the InChIKey of [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
The InChIKey is XEMTZQWPPNWKHP-DLBZAZTESA-O. The full InChI is InChI=1S/C23H26N2O2/c1-16(21-10-6-8-19-7-4-5-9-22(19)21)25-17(2)23(26)24-15-18-11-13-20(27-3)14-12-18/h4-14,16-17,25H,15H2,1-3H3,(H,24,26)/p+1/t16-,17+/m0/s1.
What are the key properties of [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium has a molecular weight of 363.48 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium is sourced from PubChem (CID 8695295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).