ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate

C16H21NO3 — CID 61008015

IUPACethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H21NO3/c1-3-12-17(13-16(19)20-4-2)15(18)11-10-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3/b11-10+
InChIKeySEEINKDEYFVQKK-ZHACJKMWSA-N
MW275.35 g/mol
LogP2.50
Rot. Bonds7

About ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate

ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate (PubChem CID 61008015) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate
PubChem CID61008015
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H21NO3/c1-3-12-17(13-16(19)20-4-2)15(18)11-10-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3/b11-10+
InChIKeySEEINKDEYFVQKK-ZHACJKMWSA-N
XLogP2.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]-propylamino]acetate
CID 61012884
ethyl 2-[[(E)-3-phenylprop-2-enoyl]-prop-2-enylamino]acetate
CID 78978456
2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]-propylamino]acetic acid
CID 61012488
2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-propylamino]acetic acid
CID 61012497
methyl 2-[3-(2-methylphenyl)prop-2-enoyl-propylamino]acetate
CID 76912417
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
CID 4608074
(E)-N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
CID 6255006
2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid
CID 103802756
ethyl 2-[3-phenylprop-2-ynoyl(propyl)amino]acetate
CID 61008491
ethyl 2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-prop-2-enylamino]acetate
CID 115538904
ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate
CID 61008627
ethyl 2-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]-ethylamino]acetate
CID 61012788

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate?
The IUPAC name of ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate (CID 61008015) is ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate.
What is the SMILES notation for ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate?
The canonical SMILES for ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)/C=C/c1ccccc1.
What is the InChIKey of ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate?
The InChIKey is SEEINKDEYFVQKK-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-12-17(13-16(19)20-4-2)15(18)11-10-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3/b11-10+.
What are the key properties of ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate?
ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate has a molecular weight of 275.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate is sourced from PubChem (CID 61008015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).