dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium

C22H30NO3+ — CID 5113288

IUPACdimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium
SMILESC[NH+](C)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1
InChIInChI=1S/C22H29NO3/c1-23(2)12-14-26-22(24)19(16-20-10-6-13-25-20)15-18-9-5-8-17-7-3-4-11-21(17)18/h3-5,7-9,11,19-20H,6,10,12-16H2,1-2H3/p+1
InChIKeyWPQOOWXLKSEHBY-UHFFFAOYSA-O
MW356.49 g/mol
LogP2.26
Rot. Bonds8

About dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium

dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium (PubChem CID 5113288) has the molecular formula C22H30NO3+ and a molecular weight of 356.49 g/mol. Its IUPAC name is dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium
PubChem CID5113288
Molecular FormulaC22H30NO3+
Molecular Weight356.49 g/mol
Exact Mass356.22
IUPAC Namedimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium
SMILESC[NH+](C)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1
InChIInChI=1S/C22H29NO3/c1-23(2)12-14-26-22(24)19(16-20-10-6-13-25-20)15-18-9-5-8-17-7-3-4-11-21(17)18/h3-5,7-9,11,19-20H,6,10,12-16H2,1-2H3/p+1
InChIKeyWPQOOWXLKSEHBY-UHFFFAOYSA-O
XLogP2.26
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
CID 170452725
diethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium;4-hydroxy-4-oxobut-2-enoate
CID 18543
N',N'-dibutyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine;2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
CID 174805884
N,N-dimethyl-2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethanamine
CID 27141
1-naphthalen-1-yl-5-(oxolan-2-yl)pentan-2-amine
CID 105156579
2-benzyl-3-(oxolan-2-yl)propanoic acid
CID 44719068
2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid
CID 79417997
2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 25346
2-hydroxy-2-oxoacetate;N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine
CID 20975902
2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide
CID 43907567
2-(diethylamino)ethyl 2-(3H-inden-1-ylmethyl)-3-(oxolan-2-yl)propanoate
CID 102268179
oxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
CID 16605574

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium?
The IUPAC name of dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium (CID 5113288) is dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium.
What is the SMILES notation for dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium?
The canonical SMILES for dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium is C[NH+](C)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1.
What is the InChIKey of dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium?
The InChIKey is WPQOOWXLKSEHBY-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29NO3/c1-23(2)12-14-26-22(24)19(16-20-10-6-13-25-20)15-18-9-5-8-17-7-3-4-11-21(17)18/h3-5,7-9,11,19-20H,6,10,12-16H2,1-2H3/p+1.
What are the key properties of dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium?
dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium has a molecular weight of 356.49 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium is sourced from PubChem (CID 5113288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).