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

C15H24N2O2 — CID 64567480

IUPACmethyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate
SMILESCOC(=O)C(CNCCCN(C)C)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-17(2)11-7-10-16-12-14(15(18)19-3)13-8-5-4-6-9-13/h4-6,8-9,14,16H,7,10-12H2,1-3H3
InChIKeyBIQAFHOCIWBAOH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.48
Rot. Bonds8

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

methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate (PubChem CID 64567480) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate
PubChem CID64567480
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namemethyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate
SMILESCOC(=O)C(CNCCCN(C)C)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-17(2)11-7-10-16-12-14(15(18)19-3)13-8-5-4-6-9-13/h4-6,8-9,14,16H,7,10-12H2,1-3H3
InChIKeyBIQAFHOCIWBAOH-UHFFFAOYSA-N
XLogP1.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.48
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-[2-(dimethylamino)ethylamino]-2-phenylpropanoate
CID 64565637
methyl 3-[3-[methyl(propan-2-yl)amino]propylamino]-2-phenylpropanoate
CID 106036554
methyl 3-(4-methoxybutylamino)-2-phenylpropanoate
CID 64560952
methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate
CID 64559421
N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine
CID 103603219
methyl 2-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanoate
CID 64561155
3-(3-methoxypropylamino)-2-phenylpropanoic acid
CID 64565855
methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate
CID 93035176
3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62878319
methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate
CID 64565444
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate
CID 106275985
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate?
The IUPAC name of methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate (CID 64567480) is methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate is COC(=O)C(CNCCCN(C)C)c1ccccc1.
What is the InChIKey of methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate?
The InChIKey is BIQAFHOCIWBAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(2)11-7-10-16-12-14(15(18)19-3)13-8-5-4-6-9-13/h4-6,8-9,14,16H,7,10-12H2,1-3H3.
What are the key properties of methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate?
methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate has a molecular weight of 264.37 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate is sourced from PubChem (CID 64567480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).