3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide

C20H22N2O5 — CID 72692640

IUPAC3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCC1(NC(=O)C=Cc2ccco2)CCOCC1
InChIInChI=1S/C20H22N2O5/c23-18(7-5-16-3-1-11-26-16)21-15-20(9-13-25-14-10-20)22-19(24)8-6-17-4-2-12-27-17/h1-8,11-12H,9-10,13-15H2,(H,21,23)(H,22,24)
InChIKeyOUAJAYUTGPMPCM-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.38
Rot. Bonds7

About 3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide

3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide (PubChem CID 72692640) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide
PubChem CID72692640
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCC1(NC(=O)C=Cc2ccco2)CCOCC1
InChIInChI=1S/C20H22N2O5/c23-18(7-5-16-3-1-11-26-16)21-15-20(9-13-25-14-10-20)22-19(24)8-6-17-4-2-12-27-17/h1-8,11-12H,9-10,13-15H2,(H,21,23)(H,22,24)
InChIKeyOUAJAYUTGPMPCM-UHFFFAOYSA-N
XLogP2.38
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide
CID 139028127
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
2-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]thietan-3-yl]acetic acid
CID 166317743
(E)-3-(furan-2-yl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]prop-2-enamide
CID 97414557
(E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide
CID 131702304
3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide
CID 91939208
(E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide
CID 51273013
1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 143504725
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide (CID 72692640) is 3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide is O=C(C=Cc1ccco1)NCC1(NC(=O)C=Cc2ccco2)CCOCC1.
What is the InChIKey of 3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide?
The InChIKey is OUAJAYUTGPMPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-18(7-5-16-3-1-11-26-16)21-15-20(9-13-25-14-10-20)22-19(24)8-6-17-4-2-12-27-17/h1-8,11-12H,9-10,13-15H2,(H,21,23)(H,22,24).
What are the key properties of 3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide?
3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide has a molecular weight of 370.41 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide is sourced from PubChem (CID 72692640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).