(E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide

C17H17NO2 — CID 51273013

IUPAC(E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C17H17NO2/c19-16(10-9-15-8-4-13-20-15)18-17(11-5-12-17)14-6-2-1-3-7-14/h1-4,6-10,13H,5,11-12H2,(H,18,19)/b10-9+
InChIKeyCGCRENLDNXGRII-MDZDMXLPSA-N
MW267.33 g/mol
LogP3.49
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide (PubChem CID 51273013) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide
PubChem CID51273013
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C17H17NO2/c19-16(10-9-15-8-4-13-20-15)18-17(11-5-12-17)14-6-2-1-3-7-14/h1-4,6-10,13H,5,11-12H2,(H,18,19)/b10-9+
InChIKeyCGCRENLDNXGRII-MDZDMXLPSA-N
XLogP3.49
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.49
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

(E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide
CID 51126174
3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 76945736
(E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 62517867
(E)-N-(1-phenylcyclobutyl)but-2-enamide
CID 110478044
(E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide
CID 25470093
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
2-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]thietan-3-yl]acetic acid
CID 166317743
(E)-3-(furan-2-yl)-N-piperidin-1-ylprop-2-enamide
CID 9271007
1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 143504725
N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide
CID 39997247
(E)-3-(furan-2-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)prop-2-enamide
CID 18155683
3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide
CID 72692640

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide (CID 51273013) is (E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide is O=C(/C=C/c1ccco1)NC1(c2ccccc2)CCC1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide?
The InChIKey is CGCRENLDNXGRII-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17NO2/c19-16(10-9-15-8-4-13-20-15)18-17(11-5-12-17)14-6-2-1-3-7-14/h1-4,6-10,13H,5,11-12H2,(H,18,19)/b10-9+.
What are the key properties of (E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide has a molecular weight of 267.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide is sourced from PubChem (CID 51273013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).