(E)-3-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide

C17H18N2O3 — CID 887818

IUPAC(E)-3-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C17H18N2O3/c20-17(8-7-14-4-3-11-22-14)18-15-5-1-2-6-16(15)19-9-12-21-13-10-19/h1-8,11H,9-10,12-13H2,(H,18,20)/b8-7+
InChIKeyWACMTZHSSNRMKO-BQYQJAHWSA-N
MW298.34 g/mol
LogP2.77
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 887818) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID887818
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(E)-3-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C17H18N2O3/c20-17(8-7-14-4-3-11-22-14)18-15-5-1-2-6-16(15)19-9-12-21-13-10-19/h1-8,11H,9-10,12-13H2,(H,18,20)/b8-7+
InChIKeyWACMTZHSSNRMKO-BQYQJAHWSA-N
XLogP2.77
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.77
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

N-[4-(diethylamino)phenyl]-2-furancarboxamide
CID 675057
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 10735128
1-(2-Furoyl)-4-(2-methoxyphenyl)piperazine
CID 595810
N-{2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl}furan-2-carboxamide
CID 1087124
(2Z)-3-(2-furyl)-N-(2-methoxyphenyl)acrylamide
CID 2303040
N-[(furan-2-yl)methyl]aniline
CID 57541
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 3127685
(E)-3-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide;oxalic acid
CID 44350586
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride
CID 44585363
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 795870
N-[4-(4-acetyl-1-piperazinyl)phenyl]-2-furamide
CID 842983

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide (CID 887818) is (E)-3-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccccc1N1CCOCC1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is WACMTZHSSNRMKO-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-17(8-7-14-4-3-11-22-14)18-15-5-1-2-6-16(15)19-9-12-21-13-10-19/h1-8,11H,9-10,12-13H2,(H,18,20)/b8-7+.
What are the key properties of (E)-3-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 298.34 g/mol, XLogP of 2.77, 4 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-(2-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 887818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).