diethyl-methyl-[2-[(2R,3R)-3-methyl-2-phenylpentanoyl]oxyethyl]azanium

C19H32NO2+ — CID 38989053

IUPACdiethyl-methyl-[2-[(2R,3R)-3-methyl-2-phenylpentanoyl]oxyethyl]azanium
SMILESCC[C@@H](C)[C@@H](C(=O)OCC[N+](C)(CC)CC)c1ccccc1
InChIInChI=1S/C19H32NO2/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3/h9-13,16,18H,6-8,14-15H2,1-5H3/q+1/t16-,18-/m1/s1
InChIKeyUPPMZCXMQRVMME-SJLPKXTDSA-N
MW306.47 g/mol
LogP3.85
Rot. Bonds9

About diethyl-methyl-[2-[(2R,3R)-3-methyl-2-phenylpentanoyl]oxyethyl]azanium

diethyl-methyl-[2-[(2R,3R)-3-methyl-2-phenylpentanoyl]oxyethyl]azanium (PubChem CID 38989053) has the molecular formula C19H32NO2+ and a molecular weight of 306.47 g/mol. Its IUPAC name is diethyl-methyl-[2-[(2R,3R)-3-methyl-2-phenylpentanoyl]oxyethyl]azanium.

Molecular Properties

Compound Namediethyl-methyl-[2-[(2R,3R)-3-methyl-2-phenylpentanoyl]oxyethyl]azanium
PubChem CID38989053
Molecular FormulaC19H32NO2+
Molecular Weight306.47 g/mol
Exact Mass306.24
IUPAC Namediethyl-methyl-[2-[(2R,3R)-3-methyl-2-phenylpentanoyl]oxyethyl]azanium
SMILESCC[C@@H](C)[C@@H](C(=O)OCC[N+](C)(CC)CC)c1ccccc1
InChIInChI=1S/C19H32NO2/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3/h9-13,16,18H,6-8,14-15H2,1-5H3/q+1/t16-,18-/m1/s1
InChIKeyUPPMZCXMQRVMME-SJLPKXTDSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

diethyl-(2-hydroxyethyl)-methylazanium;3-methyl-2-phenylpentanoate;bromide
CID 23616347
diethyl-methyl-[1-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium
CID 101287014
2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-diethyl-methylazanium bromide
CID 21149401
[2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772578
tert-butyl 3-methyl-2-phenylpentanoate
CID 63896641
2-(2,2-diphenylacetyl)oxyethyl-triethylazanium bromide
CID 3028235
2-(2,2-diphenylacetyl)oxy-N,N-diethylethanamine oxide
CID 134828224
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-2-phenylpentanoate
CID 45351361
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772782
5-methyl-4-phenylhept-1-yn-3-one
CID 114978498
[2-(4-acetamidoanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773183

Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-[2-[(2R,3R)-3-methyl-2-phenylpentanoyl]oxyethyl]azanium?
The IUPAC name of diethyl-methyl-[2-[(2R,3R)-3-methyl-2-phenylpentanoyl]oxyethyl]azanium (CID 38989053) is diethyl-methyl-[2-[(2R,3R)-3-methyl-2-phenylpentanoyl]oxyethyl]azanium.
What is the SMILES notation for diethyl-methyl-[2-[(2R,3R)-3-methyl-2-phenylpentanoyl]oxyethyl]azanium?
The canonical SMILES for diethyl-methyl-[2-[(2R,3R)-3-methyl-2-phenylpentanoyl]oxyethyl]azanium is CC[C@@H](C)[C@@H](C(=O)OCC[N+](C)(CC)CC)c1ccccc1.
What is the InChIKey of diethyl-methyl-[2-[(2R,3R)-3-methyl-2-phenylpentanoyl]oxyethyl]azanium?
The InChIKey is UPPMZCXMQRVMME-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H32NO2/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3/h9-13,16,18H,6-8,14-15H2,1-5H3/q+1/t16-,18-/m1/s1.
What are the key properties of diethyl-methyl-[2-[(2R,3R)-3-methyl-2-phenylpentanoyl]oxyethyl]azanium?
diethyl-methyl-[2-[(2R,3R)-3-methyl-2-phenylpentanoyl]oxyethyl]azanium has a molecular weight of 306.47 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-[2-[(2R,3R)-3-methyl-2-phenylpentanoyl]oxyethyl]azanium is sourced from PubChem (CID 38989053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).