(E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide

C16H14N2O2 — CID 47162880

IUPAC(E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2cccc(C#N)c2)o1
InChIInChI=1S/C16H14N2O2/c1-12-5-6-15(20-12)7-8-16(19)18-11-14-4-2-3-13(9-14)10-17/h2-9H,11H2,1H3,(H,18,19)/b8-7+
InChIKeyFEIFUPXKUNHNDQ-BQYQJAHWSA-N
MW266.30 g/mol
LogP2.79
Rot. Bonds4

About (E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 47162880) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID47162880
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2cccc(C#N)c2)o1
InChIInChI=1S/C16H14N2O2/c1-12-5-6-15(20-12)7-8-16(19)18-11-14-4-2-3-13(9-14)10-17/h2-9H,11H2,1H3,(H,18,19)/b8-7+
InChIKeyFEIFUPXKUNHNDQ-BQYQJAHWSA-N
XLogP2.79
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.79
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

3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 4606451
N-(furan-2-ylmethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 873864
3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 3354969
(E)-3-(5-methylfuran-2-yl)-N-[3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6074056
(E)-N-benzyl-2-cyano-5-(5-methylfuran-2-yl)-3-oxopent-4-enamide
CID 47052883
N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide
CID 114820614
N,N-dimethyl-3-[2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]ethyl]benzamide
CID 71874035
N-[(3-cyanophenyl)methyl]-4-(methylamino)butanamide
CID 54936460
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
(E)-N-[2,2-dimethyl-3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 2165350
N-[(3-acetamidophenyl)methyl]-3-(5-bromofuran-2-yl)prop-2-enamide
CID 47093706
benzyl 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]acetate
CID 26878355

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide (CID 47162880) is (E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCc2cccc(C#N)c2)o1.
What is the InChIKey of (E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is FEIFUPXKUNHNDQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12-5-6-15(20-12)7-8-16(19)18-11-14-4-2-3-13(9-14)10-17/h2-9H,11H2,1H3,(H,18,19)/b8-7+.
What are the key properties of (E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 266.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 47162880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).