(Z)-5-(3-fluoro-4-methylphenyl)-4-(4-methyl-2,3-dihydrofuran-5-yl)-2-methylidene-N-(oxan-4-yl)pent-3-enamide

C23H28FNO3 — CID 146550514

IUPAC(Z)-5-(3-fluoro-4-methylphenyl)-4-(4-methyl-2,3-dihydrofuran-5-yl)-2-methylidene-N-(oxan-4-yl)pent-3-enamide
SMILESC=C(/C=C(/Cc1ccc(C)c(F)c1)C1=C(C)CCO1)C(=O)NC1CCOCC1
InChIInChI=1S/C23H28FNO3/c1-15-4-5-18(14-21(15)24)13-19(22-16(2)6-11-28-22)12-17(3)23(26)25-20-7-9-27-10-8-20/h4-5,12,14,20H,3,6-11,13H2,1-2H3,(H,25,26)/b19-12-
InChIKeyHMWZQMMOWLGFKC-UNOMPAQXSA-N
MW385.48 g/mol
LogP4.15
Rot. Bonds6

About (Z)-5-(3-fluoro-4-methylphenyl)-4-(4-methyl-2,3-dihydrofuran-5-yl)-2-methylidene-N-(oxan-4-yl)pent-3-enamide

(Z)-5-(3-fluoro-4-methylphenyl)-4-(4-methyl-2,3-dihydrofuran-5-yl)-2-methylidene-N-(oxan-4-yl)pent-3-enamide (PubChem CID 146550514) has the molecular formula C23H28FNO3 and a molecular weight of 385.48 g/mol. Its IUPAC name is (Z)-5-(3-fluoro-4-methylphenyl)-4-(4-methyl-2,3-dihydrofuran-5-yl)-2-methylidene-N-(oxan-4-yl)pent-3-enamide.

Molecular Properties

Compound Name(Z)-5-(3-fluoro-4-methylphenyl)-4-(4-methyl-2,3-dihydrofuran-5-yl)-2-methylidene-N-(oxan-4-yl)pent-3-enamide
PubChem CID146550514
Molecular FormulaC23H28FNO3
Molecular Weight385.48 g/mol
Exact Mass385.21
IUPAC Name(Z)-5-(3-fluoro-4-methylphenyl)-4-(4-methyl-2,3-dihydrofuran-5-yl)-2-methylidene-N-(oxan-4-yl)pent-3-enamide
SMILESC=C(/C=C(/Cc1ccc(C)c(F)c1)C1=C(C)CCO1)C(=O)NC1CCOCC1
InChIInChI=1S/C23H28FNO3/c1-15-4-5-18(14-21(15)24)13-19(22-16(2)6-11-28-22)12-17(3)23(26)25-20-7-9-27-10-8-20/h4-5,12,14,20H,3,6-11,13H2,1-2H3,(H,25,26)/b19-12-
InChIKeyHMWZQMMOWLGFKC-UNOMPAQXSA-N
XLogP4.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 146549623
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863
5-[[3-fluoro-4-(oxetan-3-ylcarbamoyl)phenyl]methyl]-4-methyl-N-(oxan-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 166684914
2-[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-(oxan-4-yl)acetamide
CID 170456680
(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanone
CID 63935252
2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide
CID 70845853
6-(3-fluoro-4-methylanilino)-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133381848
2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63099712
5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide
CID 70845942
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide
CID 7585166
4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide
CID 63184878

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(3-fluoro-4-methylphenyl)-4-(4-methyl-2,3-dihydrofuran-5-yl)-2-methylidene-N-(oxan-4-yl)pent-3-enamide?
The IUPAC name of (Z)-5-(3-fluoro-4-methylphenyl)-4-(4-methyl-2,3-dihydrofuran-5-yl)-2-methylidene-N-(oxan-4-yl)pent-3-enamide (CID 146550514) is (Z)-5-(3-fluoro-4-methylphenyl)-4-(4-methyl-2,3-dihydrofuran-5-yl)-2-methylidene-N-(oxan-4-yl)pent-3-enamide.
What is the SMILES notation for (Z)-5-(3-fluoro-4-methylphenyl)-4-(4-methyl-2,3-dihydrofuran-5-yl)-2-methylidene-N-(oxan-4-yl)pent-3-enamide?
The canonical SMILES for (Z)-5-(3-fluoro-4-methylphenyl)-4-(4-methyl-2,3-dihydrofuran-5-yl)-2-methylidene-N-(oxan-4-yl)pent-3-enamide is C=C(/C=C(/Cc1ccc(C)c(F)c1)C1=C(C)CCO1)C(=O)NC1CCOCC1.
What is the InChIKey of (Z)-5-(3-fluoro-4-methylphenyl)-4-(4-methyl-2,3-dihydrofuran-5-yl)-2-methylidene-N-(oxan-4-yl)pent-3-enamide?
The InChIKey is HMWZQMMOWLGFKC-UNOMPAQXSA-N. The full InChI is InChI=1S/C23H28FNO3/c1-15-4-5-18(14-21(15)24)13-19(22-16(2)6-11-28-22)12-17(3)23(26)25-20-7-9-27-10-8-20/h4-5,12,14,20H,3,6-11,13H2,1-2H3,(H,25,26)/b19-12-.
What are the key properties of (Z)-5-(3-fluoro-4-methylphenyl)-4-(4-methyl-2,3-dihydrofuran-5-yl)-2-methylidene-N-(oxan-4-yl)pent-3-enamide?
(Z)-5-(3-fluoro-4-methylphenyl)-4-(4-methyl-2,3-dihydrofuran-5-yl)-2-methylidene-N-(oxan-4-yl)pent-3-enamide has a molecular weight of 385.48 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(3-fluoro-4-methylphenyl)-4-(4-methyl-2,3-dihydrofuran-5-yl)-2-methylidene-N-(oxan-4-yl)pent-3-enamide is sourced from PubChem (CID 146550514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).