azane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide

C14H25IN2O2 — CID 174880541

IUPACazane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide
SMILESCCOC(=O)C(C)(Cc1ccccc1)N(C)C.I.N
InChIInChI=1S/C14H21NO2.HI.H3N/c1-5-17-13(16)14(2,15(3)4)11-12-9-7-6-8-10-12;;/h6-10H,5,11H2,1-4H3;1H;1H3
InChIKeyXNMBPFLYOHJFFY-UHFFFAOYSA-N
MW380.27 g/mol
LogP2.89
Rot. Bonds5

About azane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide

azane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide (PubChem CID 174880541) has the molecular formula C14H25IN2O2 and a molecular weight of 380.27 g/mol. Its IUPAC name is azane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide.

Molecular Properties

Compound Nameazane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide
PubChem CID174880541
Molecular FormulaC14H25IN2O2
Molecular Weight380.27 g/mol
Exact Mass380.10
IUPAC Nameazane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide
SMILESCCOC(=O)C(C)(Cc1ccccc1)N(C)C.I.N
InChIInChI=1S/C14H21NO2.HI.H3N/c1-5-17-13(16)14(2,15(3)4)11-12-9-7-6-8-10-12;;/h6-10H,5,11H2,1-4H3;1H;1H3
InChIKeyXNMBPFLYOHJFFY-UHFFFAOYSA-N
XLogP2.89
TPSA64.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dibenzyl-3-ethoxy-3-oxopropanoic acid
CID 14551025
diethyl 2-benzyl-2-[(2-methylpropan-2-yl)oxy]propanedioate
CID 135197301
ethyl 2-amino-2-benzylbutanoate
CID 10857051
ethyl (2S)-2-amino-2-benzyl-3-hydroxypropanoate
CID 10987872
diethyl 2-benzyl-2-[3-(dimethylamino)propyl]propanedioate
CID 10947657
(2S)-2-[ethyl(methyl)amino]-2-methyl-3-phenylpropanoic acid
CID 91206478
ethyl (2S)-2-amino-2-benzyl-3,3,3-trifluoropropanoate
CID 56840522
ethyl 2-(4-cyanophenyl)-2-methyl-3-phenylpropanoate
CID 117048143
(2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid
CID 118963176
4-benzyl-5-ethoxy-4-ethoxycarbonyl-5-oxopentanoic acid
CID 5098783
ethyl 2-(aminomethyl)-2-benzyl-3-methylbutanoate
CID 106488665
2-benzyl-2-ethoxycarbonylpentanoic acid
CID 103973697

Frequently Asked Questions

What is the IUPAC name of azane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide?
The IUPAC name of azane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide (CID 174880541) is azane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide.
What is the SMILES notation for azane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide?
The canonical SMILES for azane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide is CCOC(=O)C(C)(Cc1ccccc1)N(C)C.I.N.
What is the InChIKey of azane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide?
The InChIKey is XNMBPFLYOHJFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.HI.H3N/c1-5-17-13(16)14(2,15(3)4)11-12-9-7-6-8-10-12;;/h6-10H,5,11H2,1-4H3;1H;1H3.
What are the key properties of azane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide?
azane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide has a molecular weight of 380.27 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide is sourced from PubChem (CID 174880541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).