(E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide

C17H20N2O2 — CID 115343629

IUPAC(E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide
SMILESCC(CCc1ccco1)NC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C17H20N2O2/c1-13(4-10-16-3-2-12-21-16)19-17(20)11-7-14-5-8-15(18)9-6-14/h2-3,5-9,11-13H,4,10,18H2,1H3,(H,19,20)/b11-7+
InChIKeyAHODFOZCRYRBNE-YRNVUSSQSA-N
MW284.36 g/mol
LogP3.01
Rot. Bonds6

About (E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide

(E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide (PubChem CID 115343629) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide
PubChem CID115343629
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide
SMILESCC(CCc1ccco1)NC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C17H20N2O2/c1-13(4-10-16-3-2-12-21-16)19-17(20)11-7-14-5-8-15(18)9-6-14/h2-3,5-9,11-13H,4,10,18H2,1H3,(H,19,20)/b11-7+
InChIKeyAHODFOZCRYRBNE-YRNVUSSQSA-N
XLogP3.01
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide
CID 55687353
(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 107218565
(E)-3-(4-aminophenyl)-N-heptan-2-ylprop-2-enamide
CID 115342931
(E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide
CID 113290911
(E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide
CID 115344062
(E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide
CID 82944929
(E)-3-(4-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide
CID 115343884
3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 61249559
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide (CID 115343629) is (E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide is CC(CCc1ccco1)NC(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide?
The InChIKey is AHODFOZCRYRBNE-YRNVUSSQSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(4-10-16-3-2-12-21-16)19-17(20)11-7-14-5-8-15(18)9-6-14/h2-3,5-9,11-13H,4,10,18H2,1H3,(H,19,20)/b11-7+.
What are the key properties of (E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide?
(E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide has a molecular weight of 284.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide is sourced from PubChem (CID 115343629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).