(E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide

C21H19NO3 — CID 134029277

IUPAC(E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NC(c2ccccc2)c2ccco2)c1
InChIInChI=1S/C21H19NO3/c1-24-18-10-5-7-16(15-18)12-13-20(23)22-21(19-11-6-14-25-19)17-8-3-2-4-9-17/h2-15,21H,1H3,(H,22,23)/b13-12+
InChIKeyYCQPQVOBBCLTHY-OUKQBFOZSA-N
MW333.39 g/mol
LogP4.21
Rot. Bonds6

About (E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide

(E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 134029277) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID134029277
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name(E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NC(c2ccccc2)c2ccco2)c1
InChIInChI=1S/C21H19NO3/c1-24-18-10-5-7-16(15-18)12-13-20(23)22-21(19-11-6-14-25-19)17-8-3-2-4-9-17/h2-15,21H,1H3,(H,22,23)/b13-12+
InChIKeyYCQPQVOBBCLTHY-OUKQBFOZSA-N
XLogP4.21
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide 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

(E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide
CID 8928142
(E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide
CID 7948884
N-[furan-2-yl(phenyl)methyl]-2,5-dimethoxybenzamide
CID 51217853
1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905741
(E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide
CID 134029408
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 8696252
(E)-N-[(1R)-1-(furan-2-yl)ethyl]-3-phenylprop-2-enamide
CID 8856139
(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 51162669
2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 43091753
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(3-methoxyphenyl)prop-2-enamide
CID 79252669
(E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide
CID 7930993
(Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 98439360

Frequently Asked Questions

What is the IUPAC name of (E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide (CID 134029277) is (E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)NC(c2ccccc2)c2ccco2)c1.
What is the InChIKey of (E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is YCQPQVOBBCLTHY-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H19NO3/c1-24-18-10-5-7-16(15-18)12-13-20(23)22-21(19-11-6-14-25-19)17-8-3-2-4-9-17/h2-15,21H,1H3,(H,22,23)/b13-12+.
What are the key properties of (E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 333.39 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 134029277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).