(E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide

C19H23NO4 — CID 6214482

IUPAC(E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCCCOc1ccc(NC(=O)/C=C/c2ccco2)cc1OCCC
InChIInChI=1S/C19H23NO4/c1-3-11-23-17-9-7-15(14-18(17)24-12-4-2)20-19(21)10-8-16-6-5-13-22-16/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,20,21)/b10-8+
InChIKeySYUIHQZIIIDQDH-CSKARUKUSA-N
MW329.40 g/mol
LogP4.51
Rot. Bonds9

About (E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 6214482) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID6214482
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCCCOc1ccc(NC(=O)/C=C/c2ccco2)cc1OCCC
InChIInChI=1S/C19H23NO4/c1-3-11-23-17-9-7-15(14-18(17)24-12-4-2)20-19(21)10-8-16-6-5-13-22-16/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,20,21)/b10-8+
InChIKeySYUIHQZIIIDQDH-CSKARUKUSA-N
XLogP4.51
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.51
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-(3,4-dipropoxyphenyl)furan-2-carboxamide
CID 26212098
(E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 961103
4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2-methoxybenzoic acid
CID 107208592
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
(E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide
CID 7924138
(E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 17101941
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
methyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 2303057
N-(2-ethoxy-5-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 72687447
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide (CID 6214482) is (E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide is CCCOc1ccc(NC(=O)/C=C/c2ccco2)cc1OCCC.
What is the InChIKey of (E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is SYUIHQZIIIDQDH-CSKARUKUSA-N. The full InChI is InChI=1S/C19H23NO4/c1-3-11-23-17-9-7-15(14-18(17)24-12-4-2)20-19(21)10-8-16-6-5-13-22-16/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,20,21)/b10-8+.
What are the key properties of (E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 329.40 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 6214482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).