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

C16H17NO2 — CID 801873

IUPAC(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccccc1NC(=O)/C=C/c1ccco1
InChIInChI=1S/C16H17NO2/c1-12(2)14-7-3-4-8-15(14)17-16(18)10-9-13-6-5-11-19-13/h3-12H,1-2H3,(H,17,18)/b10-9+
InChIKeyDLUFKWDQAYUDPA-MDZDMXLPSA-N
MW255.32 g/mol
LogP4.05
Rot. Bonds4

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

(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide (PubChem CID 801873) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
PubChem CID801873
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccccc1NC(=O)/C=C/c1ccco1
InChIInChI=1S/C16H17NO2/c1-12(2)14-7-3-4-8-15(14)17-16(18)10-9-13-6-5-11-19-13/h3-12H,1-2H3,(H,17,18)/b10-9+
InChIKeyDLUFKWDQAYUDPA-MDZDMXLPSA-N
XLogP4.05
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.05
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-oxo-2-(2-propan-2-ylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2506694
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide
CID 42996288
(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108744999
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
methyl (E)-4-oxo-4-(2-propan-2-ylanilino)but-2-enoate
CID 851932
(E)-3-(furan-2-yl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 2668862
(E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 874188
(2-propan-2-ylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 918034
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 4820314
(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 707164

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide (CID 801873) is (E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccccc1NC(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is DLUFKWDQAYUDPA-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12(2)14-7-3-4-8-15(14)17-16(18)10-9-13-6-5-11-19-13/h3-12H,1-2H3,(H,17,18)/b10-9+.
What are the key properties of (E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 255.32 g/mol, XLogP of 4.05, 4 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-(2-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 801873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).