N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide

C17H16N4O2 — CID 71879000

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESCCn1cnnc1-c1ccccc1NC(=O)C=Cc1ccco1
InChIInChI=1S/C17H16N4O2/c1-2-21-12-18-20-17(21)14-7-3-4-8-15(14)19-16(22)10-9-13-6-5-11-23-13/h3-12H,2H2,1H3,(H,19,22)
InChIKeyKWLYCNOMZGGMSW-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.21
Rot. Bonds5

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide

N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 71879000) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID71879000
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESCCn1cnnc1-c1ccccc1NC(=O)C=Cc1ccco1
InChIInChI=1S/C17H16N4O2/c1-2-21-12-18-20-17(21)14-7-3-4-8-15(14)19-16(22)10-9-13-6-5-11-23-13/h3-12H,2H2,1H3,(H,19,22)
InChIKeyKWLYCNOMZGGMSW-UHFFFAOYSA-N
XLogP3.21
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
(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-(2-propan-2-ylphenyl)prop-2-enamide
CID 801873
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119733347
(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108744999
4-[[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]butanoic acid
CID 122079973
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536714
(E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 8699004
(E)-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 30332465
(E)-3-(furan-2-yl)-N-(1-propyltetrazol-5-yl)prop-2-enamide
CID 960288
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
CID 824100

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide (CID 71879000) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide is CCn1cnnc1-c1ccccc1NC(=O)C=Cc1ccco1.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is KWLYCNOMZGGMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-21-12-18-20-17(21)14-7-3-4-8-15(14)19-16(22)10-9-13-6-5-11-23-13/h3-12H,2H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 308.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 71879000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).