3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide

C20H22N2O4 — CID 3824750

IUPAC3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NC1CCCCC1NC(=O)C=Cc1ccco1
InChIInChI=1S/C20H22N2O4/c23-19(11-9-15-5-3-13-25-15)21-17-7-1-2-8-18(17)22-20(24)12-10-16-6-4-14-26-16/h3-6,9-14,17-18H,1-2,7-8H2,(H,21,23)(H,22,24)
InChIKeyLNSIOFHUHRSKIY-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.14
Rot. Bonds6

About 3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide

3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide (PubChem CID 3824750) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
PubChem CID3824750
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NC1CCCCC1NC(=O)C=Cc1ccco1
InChIInChI=1S/C20H22N2O4/c23-19(11-9-15-5-3-13-25-15)21-17-7-1-2-8-18(17)22-20(24)12-10-16-6-4-14-26-16/h3-6,9-14,17-18H,1-2,7-8H2,(H,21,23)(H,22,24)
InChIKeyLNSIOFHUHRSKIY-UHFFFAOYSA-N
XLogP3.14
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide with MolForge

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Related Compounds

3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941530
(E)-N-cyclopropyl-3-(furan-2-yl)prop-2-enamide
CID 963880
N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide
CID 77114393
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
(E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 81483200
[(2S)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 129419379
(E)-3-(furan-2-yl)-N-piperidin-1-ylprop-2-enamide
CID 9271007
2-cyclopropyl-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetic acid
CID 55108577
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(furan-2-yl)prop-2-enamide
CID 79711579
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
tert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868546

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide (CID 3824750) is 3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide is O=C(C=Cc1ccco1)NC1CCCCC1NC(=O)C=Cc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide?
The InChIKey is LNSIOFHUHRSKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-19(11-9-15-5-3-13-25-15)21-17-7-1-2-8-18(17)22-20(24)12-10-16-6-4-14-26-16/h3-6,9-14,17-18H,1-2,7-8H2,(H,21,23)(H,22,24).
What are the key properties of 3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide?
3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide has a molecular weight of 354.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide is sourced from PubChem (CID 3824750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).