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

C15H21NO2 — CID 76931444

IUPACmethyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate
SMILESCCN(CC=Cc1ccccc1)CCC(=O)OC
InChIInChI=1S/C15H21NO2/c1-3-16(13-11-15(17)18-2)12-7-10-14-8-5-4-6-9-14/h4-10H,3,11-13H2,1-2H3
InChIKeyQBCGIEQQIOQMSQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.58
Rot. Bonds7

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

methyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate (PubChem CID 76931444) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate
PubChem CID76931444
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate
SMILESCCN(CC=Cc1ccccc1)CCC(=O)OC
InChIInChI=1S/C15H21NO2/c1-3-16(13-11-15(17)18-2)12-7-10-14-8-5-4-6-9-14/h4-10H,3,11-13H2,1-2H3
InChIKeyQBCGIEQQIOQMSQ-UHFFFAOYSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[2-methoxyethyl-[(E)-3-phenylprop-2-enyl]amino]propanoate
CID 78960724
N'-ethyl-N,N-dimethyl-N'-(3-phenylprop-2-enyl)ethane-1,2-diamine
CID 2845846
methyl 3-[ethyl(4-phenylbutyl)amino]propanoate
CID 114334479
methyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate
CID 62339712
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
methyl 8-oxo-8-(3-phenylprop-2-enylamino)octanoate
CID 66958561
ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate
CID 76932222
dimethylamino (E)-5-phenylpent-4-enoate
CID 174423096
N-ethyl-2-(2-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 46995618
methyl 2-[phenylmethoxycarbonyl-[(E)-3-phenylprop-2-enyl]amino]acetate
CID 11645787
methyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate
CID 62111485
methyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate
CID 113228358

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate (CID 76931444) is methyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate is CCN(CC=Cc1ccccc1)CCC(=O)OC.
What is the InChIKey of methyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate?
The InChIKey is QBCGIEQQIOQMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-16(13-11-15(17)18-2)12-7-10-14-8-5-4-6-9-14/h4-10H,3,11-13H2,1-2H3.
What are the key properties of methyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate?
methyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate has a molecular weight of 247.34 g/mol, XLogP of 2.58, 7 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-enyl)amino]propanoate is sourced from PubChem (CID 76931444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).