(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide

C16H15N3O2 — CID 108863363

IUPAC(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide
SMILESCc1cccc(N/C=C(/C#N)C(=O)NCc2ccco2)c1
InChIInChI=1S/C16H15N3O2/c1-12-4-2-5-14(8-12)18-10-13(9-17)16(20)19-11-15-6-3-7-21-15/h2-8,10,18H,11H2,1H3,(H,19,20)/b13-10-
InChIKeyXUCHMLBFPFKPNM-RAXLEYEMSA-N
MW281.32 g/mol
LogP2.72
Rot. Bonds5

About (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide

(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide (PubChem CID 108863363) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide
PubChem CID108863363
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide
SMILESCc1cccc(N/C=C(/C#N)C(=O)NCc2ccco2)c1
InChIInChI=1S/C16H15N3O2/c1-12-4-2-5-14(8-12)18-10-13(9-17)16(20)19-11-15-6-3-7-21-15/h2-8,10,18H,11H2,1H3,(H,19,20)/b13-10-
InChIKeyXUCHMLBFPFKPNM-RAXLEYEMSA-N
XLogP2.72
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863478
(Z)-2-cyano-3-(3,4-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863270
(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863388
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(4-methoxyanilino)prop-2-enamide
CID 108863285
(Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863279
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(2,4,4-trimethylpentan-2-ylamino)prop-2-enamide
CID 108863444
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide
CID 108863540
2-cyano-N-(furan-2-ylmethyl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enamide
CID 3138086
6-[[(Z)-2-cyano-3-(3-methylanilino)prop-2-enoyl]amino]hexanoic acid
CID 108845154
3-(5-chloro-2-methoxyanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 3841376
2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide
CID 4809586
(Z)-N-butan-2-yl-2-cyano-3-(3-methylanilino)prop-2-enamide
CID 108834405

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide (CID 108863363) is (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide is Cc1cccc(N/C=C(/C#N)C(=O)NCc2ccco2)c1.
What is the InChIKey of (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide?
The InChIKey is XUCHMLBFPFKPNM-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-4-2-5-14(8-12)18-10-13(9-17)16(20)19-11-15-6-3-7-21-15/h2-8,10,18H,11H2,1H3,(H,19,20)/b13-10-.
What are the key properties of (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide?
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide has a molecular weight of 281.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide is sourced from PubChem (CID 108863363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).