(E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide

C18H21NO2 — CID 6379903

IUPAC(E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
SMILESCC(C)Cc1ccc(/C=C/C(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H21NO2/c1-14(2)12-16-7-5-15(6-8-16)9-10-18(20)19-13-17-4-3-11-21-17/h3-11,14H,12-13H2,1-2H3,(H,19,20)/b10-9+
InChIKeyIPRDQPRUNZPWDS-MDZDMXLPSA-N
MW283.37 g/mol
LogP3.81
Rot. Bonds6

About (E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide

(E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide (PubChem CID 6379903) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
PubChem CID6379903
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
SMILESCC(C)Cc1ccc(/C=C/C(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H21NO2/c1-14(2)12-16-7-5-15(6-8-16)9-10-18(20)19-13-17-4-3-11-21-17/h3-11,14H,12-13H2,1-2H3,(H,19,20)/b10-9+
InChIKeyIPRDQPRUNZPWDS-MDZDMXLPSA-N
XLogP3.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]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-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
CID 6019548
methyl 4-[(E)-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-3-oxoprop-1-enyl]benzoate
CID 34240809
(E)-3-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 9034480
N-(furan-2-ylmethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 873864
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 7187447
(E)-N-(furan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 16652530
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7867969
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (E)-3-(4-bromophenyl)prop-2-enoate
CID 7486452
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(furan-2-ylmethyl)prop-2-enamide
CID 31130752
(E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide
CID 115343629
(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 86951546
(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-propylprop-2-enamide
CID 35743980

Frequently Asked Questions

What is the IUPAC name of (E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide (CID 6379903) is (E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide is CC(C)Cc1ccc(/C=C/C(=O)NCc2ccco2)cc1.
What is the InChIKey of (E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
The InChIKey is IPRDQPRUNZPWDS-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(2)12-16-7-5-15(6-8-16)9-10-18(20)19-13-17-4-3-11-21-17/h3-11,14H,12-13H2,1-2H3,(H,19,20)/b10-9+.
What are the key properties of (E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
(E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide has a molecular weight of 283.37 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide is sourced from PubChem (CID 6379903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).