methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate

C14H22N2O2 — CID 64565637

IUPACmethyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate
SMILESCOC(=O)C(CNCCN(C)C)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-16(2)10-9-15-11-13(14(17)18-3)12-7-5-4-6-8-12/h4-8,13,15H,9-11H2,1-3H3
InChIKeyPZOPMKQHCZSCGK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.09
Rot. Bonds7

About methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate

methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate (PubChem CID 64565637) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate
PubChem CID64565637
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namemethyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate
SMILESCOC(=O)C(CNCCN(C)C)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-16(2)10-9-15-11-13(14(17)18-3)12-7-5-4-6-8-12/h4-8,13,15H,9-11H2,1-3H3
InChIKeyPZOPMKQHCZSCGK-UHFFFAOYSA-N
XLogP1.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate
CID 64567480
methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate
CID 64559421
methyl 3-[3-[methyl(propan-2-yl)amino]propylamino]-2-phenylpropanoate
CID 106036554
methyl 3-(4-methoxybutylamino)-2-phenylpropanoate
CID 64560952
methyl 2-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanoate
CID 64561155
N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine
CID 28607795
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate
CID 106275985
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate
CID 65106276
methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-phenylpropanoate
CID 106401183
methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate
CID 64567687
methyl (2S)-3-[2-(dimethylamino)ethylamino]-2-methylpropanoate
CID 93035177

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate?
The IUPAC name of methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate (CID 64565637) is methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate is COC(=O)C(CNCCN(C)C)c1ccccc1.
What is the InChIKey of methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate?
The InChIKey is PZOPMKQHCZSCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(2)10-9-15-11-13(14(17)18-3)12-7-5-4-6-8-12/h4-8,13,15H,9-11H2,1-3H3.
What are the key properties of methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate?
methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate has a molecular weight of 250.34 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate is sourced from PubChem (CID 64565637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).