methyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate

C15H19NO2 — CID 62339712

IUPACmethyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate
SMILESCCN(CC#Cc1ccccc1)CCC(=O)OC
InChIInChI=1S/C15H19NO2/c1-3-16(13-11-15(17)18-2)12-7-10-14-8-5-4-6-9-14/h4-6,8-9H,3,11-13H2,1-2H3
InChIKeyMKGVZDMXYJIYJP-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.92
Rot. Bonds5

About methyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate

methyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate (PubChem CID 62339712) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate
PubChem CID62339712
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namemethyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate
SMILESCCN(CC#Cc1ccccc1)CCC(=O)OC
InChIInChI=1S/C15H19NO2/c1-3-16(13-11-15(17)18-2)12-7-10-14-8-5-4-6-9-14/h4-6,8-9H,3,11-13H2,1-2H3
InChIKeyMKGVZDMXYJIYJP-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate
CID 76931444
methyl 3-[ethyl(4-phenylbutyl)amino]propanoate
CID 114334479
methyl (4S)-4-hydroxy-6-phenylhex-5-ynoate
CID 15659536
N',N'-diethyl-N-(3-phenylprop-2-ynyl)ethane-1,2-diamine;dihydrochloride
CID 17295622
2-[2-methoxyethyl(3-phenylprop-2-ynyl)amino]ethanol
CID 113468027
3-[[ethyl(3-phenylprop-2-ynyl)amino]methyl]phenol
CID 139688349
methyl 3-[but-3-ynyl(ethyl)amino]propanoate
CID 62027913
N,N-diethyl-3-(3-methoxyphenyl)prop-2-yn-1-amine
CID 11586570
methyl 2-[(2-methoxy-2-oxoethyl)-(3-phenylprop-2-ynoyl)amino]acetate
CID 62952801
methyl 3-[ethyl(pent-3-ynyl)amino]propanoate
CID 104746316
methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate
CID 110008646
methyl 6-hydroxy-8-phenyloct-7-ynoate
CID 170782800

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate (CID 62339712) is methyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate is CCN(CC#Cc1ccccc1)CCC(=O)OC.
What is the InChIKey of methyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate?
The InChIKey is MKGVZDMXYJIYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-16(13-11-15(17)18-2)12-7-10-14-8-5-4-6-9-14/h4-6,8-9H,3,11-13H2,1-2H3.
What are the key properties of methyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate?
methyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate has a molecular weight of 245.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate is sourced from PubChem (CID 62339712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).