propan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate

C19H20INO4 — CID 134015908

IUPACpropan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)/C=C/c1ccc(I)o1)c1ccccc1
InChIInChI=1S/C19H20INO4/c1-13(2)24-19(23)12-16(14-6-4-3-5-7-14)21-18(22)11-9-15-8-10-17(20)25-15/h3-11,13,16H,12H2,1-2H3,(H,21,22)/b11-9+
InChIKeyDRBGPNWHIMQPOL-PKNBQFBNSA-N
MW453.28 g/mol
LogP4.10
Rot. Bonds7

About propan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate

propan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate (PubChem CID 134015908) has the molecular formula C19H20INO4 and a molecular weight of 453.28 g/mol. Its IUPAC name is propan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate
PubChem CID134015908
Molecular FormulaC19H20INO4
Molecular Weight453.28 g/mol
Exact Mass453.04
IUPAC Namepropan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)/C=C/c1ccc(I)o1)c1ccccc1
InChIInChI=1S/C19H20INO4/c1-13(2)24-19(23)12-16(14-6-4-3-5-7-14)21-18(22)11-9-15-8-10-17(20)25-15/h3-11,13,16H,12H2,1-2H3,(H,21,22)/b11-9+
InChIKeyDRBGPNWHIMQPOL-PKNBQFBNSA-N
XLogP4.10
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate 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

propan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate
CID 46637717
propan-2-yl 3-(4-methoxyphenyl)-3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propanoate
CID 24516727
3-(5-iodofuran-2-yl)-N-propan-2-ylprop-2-enamide
CID 78773568
(E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide
CID 47097582
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 119274327
propan-2-yl 3-[[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 24516782
propan-2-yl 3-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 24516732
[(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132707
propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate
CID 43035542
propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate
CID 43048320
methyl (3S)-3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-3-phenylpropanoate
CID 40938130
propan-2-yl 3-[[(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 24516801

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate (CID 134015908) is propan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate is CC(C)OC(=O)CC(NC(=O)/C=C/c1ccc(I)o1)c1ccccc1.
What is the InChIKey of propan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate?
The InChIKey is DRBGPNWHIMQPOL-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H20INO4/c1-13(2)24-19(23)12-16(14-6-4-3-5-7-14)21-18(22)11-9-15-8-10-17(20)25-15/h3-11,13,16H,12H2,1-2H3,(H,21,22)/b11-9+.
What are the key properties of propan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate?
propan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate has a molecular weight of 453.28 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 134015908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).