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

C15H16N2O2 — CID 115342852

IUPAC(E)-3-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]prop-2-enamide
SMILESNc1cccc(/C=C/C(=O)NCCc2ccco2)c1
InChIInChI=1S/C15H16N2O2/c16-13-4-1-3-12(11-13)6-7-15(18)17-9-8-14-5-2-10-19-14/h1-7,10-11H,8-9,16H2,(H,17,18)/b7-6+
InChIKeyVIGAKUUZIRDZAY-VOTSOKGWSA-N
MW256.31 g/mol
LogP2.23
Rot. Bonds5

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

(E)-3-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]prop-2-enamide (PubChem CID 115342852) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]prop-2-enamide
PubChem CID115342852
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(E)-3-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]prop-2-enamide
SMILESNc1cccc(/C=C/C(=O)NCCc2ccco2)c1
InChIInChI=1S/C15H16N2O2/c16-13-4-1-3-12(11-13)6-7-15(18)17-9-8-14-5-2-10-19-14/h1-7,10-11H,8-9,16H2,(H,17,18)/b7-6+
InChIKeyVIGAKUUZIRDZAY-VOTSOKGWSA-N
XLogP2.23
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.23
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)-N-[2-(furan-2-yl)ethyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 9184707
(E)-3-(3-aminophenyl)-N-(3-aminopropyl)prop-2-enamide
CID 115343655
(E)-3-(3-aminophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 115342777
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
2-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 55083762
(E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 55686707
(E)-3-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide
CID 106416428
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]acetic acid
CID 115343485
(E)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-aminophenyl)prop-2-enamide
CID 106236667
(E)-3-(3-aminophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide
CID 106047459
(E)-3-(3-aminophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]prop-2-enamide
CID 115344130
(E)-3-(3-aminophenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 115342775

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]prop-2-enamide (CID 115342852) is (E)-3-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]prop-2-enamide is Nc1cccc(/C=C/C(=O)NCCc2ccco2)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]prop-2-enamide?
The InChIKey is VIGAKUUZIRDZAY-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-13-4-1-3-12(11-13)6-7-15(18)17-9-8-14-5-2-10-19-14/h1-7,10-11H,8-9,16H2,(H,17,18)/b7-6+.
What are the key properties of (E)-3-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]prop-2-enamide?
(E)-3-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]prop-2-enamide has a molecular weight of 256.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 115342852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).