(E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide

C16H22N2O3 — CID 139028127

IUPAC(E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC1(N2CCOCC2)CCC1
InChIInChI=1S/C16H22N2O3/c19-15(5-4-14-3-1-10-21-14)17-13-16(6-2-7-16)18-8-11-20-12-9-18/h1,3-5,10H,2,6-9,11-13H2,(H,17,19)/b5-4+
InChIKeyBZBFKXQRDSYZRG-SNAWJCMRSA-N
MW290.36 g/mol
LogP1.66
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide (PubChem CID 139028127) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide
PubChem CID139028127
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC1(N2CCOCC2)CCC1
InChIInChI=1S/C16H22N2O3/c19-15(5-4-14-3-1-10-21-14)17-13-16(6-2-7-16)18-8-11-20-12-9-18/h1,3-5,10H,2,6-9,11-13H2,(H,17,19)/b5-4+
InChIKeyBZBFKXQRDSYZRG-SNAWJCMRSA-N
XLogP1.66
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide
CID 72692640
(E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 37259528
(E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254928
3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide
CID 91939208
(E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide
CID 56786269
(E)-3-(3-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254917
(E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide
CID 131702304
(E)-3-(furan-2-yl)-N-(morpholine-4-carbothioyl)prop-2-enamide
CID 2054544
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 37259602
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 62517867
3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 76945736

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide (CID 139028127) is (E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide is O=C(/C=C/c1ccco1)NCC1(N2CCOCC2)CCC1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide?
The InChIKey is BZBFKXQRDSYZRG-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(5-4-14-3-1-10-21-14)17-13-16(6-2-7-16)18-8-11-20-12-9-18/h1,3-5,10H,2,6-9,11-13H2,(H,17,19)/b5-4+.
What are the key properties of (E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide has a molecular weight of 290.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide is sourced from PubChem (CID 139028127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).