(E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide

C19H23NO2 — CID 7936596

IUPAC(E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide
SMILESCC(C)Cc1ccc([C@H](C)NC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C19H23NO2/c1-14(2)13-16-6-8-17(9-7-16)15(3)20-19(21)11-10-18-5-4-12-22-18/h4-12,14-15H,13H2,1-3H3,(H,20,21)/b11-10+/t15-/m0/s1
InChIKeySSWPNPGDKMCYPY-NKSUMMKUSA-N
MW297.40 g/mol
LogP4.37
Rot. Bonds6

About (E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide (PubChem CID 7936596) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide
PubChem CID7936596
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide
SMILESCC(C)Cc1ccc([C@H](C)NC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C19H23NO2/c1-14(2)13-16-6-8-17(9-7-16)15(3)20-19(21)11-10-18-5-4-12-22-18/h4-12,14-15H,13H2,1-3H3,(H,20,21)/b11-10+/t15-/m0/s1
InChIKeySSWPNPGDKMCYPY-NKSUMMKUSA-N
XLogP4.37
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7852434
(E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7944605
4-fluoro-N-[4-[1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]phenyl]benzamide
CID 60537830
4-fluoro-N-[4-[1-[3-(furan-2-yl)prop-2-enoylamino]ethyl]phenyl]benzamide
CID 76866558
(E)-3-(furan-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-enamide
CID 7582821
(E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide
CID 6057021
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 6188146
(E)-3-(furan-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 113246886
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide
CID 7581820
3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 75619467
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 4820314
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
CID 60637985

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide (CID 7936596) is (E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide is CC(C)Cc1ccc([C@H](C)NC(=O)/C=C/c2ccco2)cc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide?
The InChIKey is SSWPNPGDKMCYPY-NKSUMMKUSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14(2)13-16-6-8-17(9-7-16)15(3)20-19(21)11-10-18-5-4-12-22-18/h4-12,14-15H,13H2,1-3H3,(H,20,21)/b11-10+/t15-/m0/s1.
What are the key properties of (E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide has a molecular weight of 297.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide is sourced from PubChem (CID 7936596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).