(E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C18H21NO2 — CID 6314090

IUPAC(E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCCC(C)c1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1
InChIInChI=1S/C18H21NO2/c1-4-13(2)15-6-8-16(9-7-15)19-18(20)12-11-17-10-5-14(3)21-17/h5-13H,4H2,1-3H3,(H,19,20)/b12-11+
InChIKeyRZKDDNAMIJMYQB-VAWYXSNFSA-N
MW283.37 g/mol
LogP4.75
Rot. Bonds5

About (E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 6314090) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID6314090
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCCC(C)c1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1
InChIInChI=1S/C18H21NO2/c1-4-13(2)15-6-8-16(9-7-15)19-18(20)12-11-17-10-5-14(3)21-17/h5-13H,4H2,1-3H3,(H,19,20)/b12-11+
InChIKeyRZKDDNAMIJMYQB-VAWYXSNFSA-N
XLogP4.75
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712902
(Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22305599
3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 712925
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
N-[4-[acetyl(methyl)amino]phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923472
(E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 2319129
(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923459
(E)-4-[4-[(4-butan-2-ylphenyl)-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]methyl]anilino]-4-oxobut-2-enoic acid
CID 155460086
N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 5059755
(E)-3-(5-methylfuran-2-yl)-N-naphthalen-2-ylprop-2-enamide
CID 2146457
(E)-N-[(4-butan-2-ylphenyl)carbamothioyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide
CID 22782880
(E)-N-[[4-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide
CID 51617567

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 6314090) is (E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is CCC(C)c1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1.
What is the InChIKey of (E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is RZKDDNAMIJMYQB-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-13(2)15-6-8-16(9-7-15)19-18(20)12-11-17-10-5-14(3)21-17/h5-13H,4H2,1-3H3,(H,19,20)/b12-11+.
What are the key properties of (E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 283.37 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-butan-2-ylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 6314090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).