(Z)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enamide

C17H19NO3 — CID 170877458

IUPAC(Z)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enamide
SMILESCC(C)c1ccc(OCc2ccc(/C=C\C(N)=O)o2)cc1
InChIInChI=1S/C17H19NO3/c1-12(2)13-3-5-14(6-4-13)20-11-16-8-7-15(21-16)9-10-17(18)19/h3-10,12H,11H2,1-2H3,(H2,18,19)/b10-9-
InChIKeyZOOZIROPVPJCCB-KTKRTIGZSA-N
MW285.34 g/mol
LogP3.48
Rot. Bonds6

About (Z)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enamide

(Z)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enamide (PubChem CID 170877458) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (Z)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enamide
PubChem CID170877458
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(Z)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enamide
SMILESCC(C)c1ccc(OCc2ccc(/C=C\C(N)=O)o2)cc1
InChIInChI=1S/C17H19NO3/c1-12(2)13-3-5-14(6-4-13)20-11-16-8-7-15(21-16)9-10-17(18)19/h3-10,12H,11H2,1-2H3,(H2,18,19)/b10-9-
InChIKeyZOOZIROPVPJCCB-KTKRTIGZSA-N
XLogP3.48
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(3-hydroxyphenyl)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19562815
(E)-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-enamide
CID 170877481
(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19556718
ethyl 2-cyano-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enoate
CID 4771162
(E)-3-[5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl]-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557303
3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide
CID 165351483
(E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide
CID 55266499
(E)-3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557344
(E)-3-[5-[(4-chlorophenoxy)methyl]furan-2-yl]-1-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 19555148
(E)-1-(4-bromophenyl)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19541318
(E)-3-[5-[(4-chlorophenoxy)methyl]furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 19551182
(4-propan-2-ylphenyl) (Z)-4-amino-4-oxobut-2-enoate
CID 67832284

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enamide?
The IUPAC name of (Z)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enamide (CID 170877458) is (Z)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enamide?
The canonical SMILES for (Z)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enamide is CC(C)c1ccc(OCc2ccc(/C=C\C(N)=O)o2)cc1.
What is the InChIKey of (Z)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enamide?
The InChIKey is ZOOZIROPVPJCCB-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(2)13-3-5-14(6-4-13)20-11-16-8-7-15(21-16)9-10-17(18)19/h3-10,12H,11H2,1-2H3,(H2,18,19)/b10-9-.
What are the key properties of (Z)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enamide?
(Z)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enamide has a molecular weight of 285.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enamide is sourced from PubChem (CID 170877458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).