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

C23H20N4O — CID 155683403

IUPAC(E)-3-naphthalen-2-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2c1)NC(Cn1cncn1)c1ccccc1
InChIInChI=1S/C23H20N4O/c28-23(13-11-18-10-12-19-6-4-5-9-21(19)14-18)26-22(15-27-17-24-16-25-27)20-7-2-1-3-8-20/h1-14,16-17,22H,15H2,(H,26,28)/b13-11+
InChIKeyKIHGLHHJBMVELQ-ACCUITESSA-N
MW368.44 g/mol
LogP4.00
Rot. Bonds6

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

(E)-3-naphthalen-2-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide (PubChem CID 155683403) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is (E)-3-naphthalen-2-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-naphthalen-2-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide
PubChem CID155683403
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name(E)-3-naphthalen-2-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2c1)NC(Cn1cncn1)c1ccccc1
InChIInChI=1S/C23H20N4O/c28-23(13-11-18-10-12-19-6-4-5-9-21(19)14-18)26-22(15-27-17-24-16-25-27)20-7-2-1-3-8-20/h1-14,16-17,22H,15H2,(H,26,28)/b13-11+
InChIKeyKIHGLHHJBMVELQ-ACCUITESSA-N
XLogP4.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-ylamino)propyl]-1H-pyridin-2-one
CID 137477572
(E)-3-naphthalen-1-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide
CID 155683412
N-(1-naphthylmethyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 3631677
(E)-3-naphthalen-2-yl-N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]prop-2-enamide
CID 166636221
2-phenyl-N-[4-(1,2,4-triazol-1-yl)butyl]benzamide
CID 13588861
N-[1-(2,5-dimethylphenyl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 53599113
N-[(2,3-dimethylphenyl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine
CID 72023862
5,6,7,8-Tetrahydronaphthalen-2-yl-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72143122
2-fluoro-N-[(2S,3S)-3-methyl-1-(1,2,4-triazol-1-yl)pentan-2-yl]-4-phenylbenzamide
CID 155519297
N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-phenylbenzamide
CID 155538556
N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]naphthalene-2-carboxamide
CID 166628034
N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide
CID 166628886

Frequently Asked Questions

What is the IUPAC name of (E)-3-naphthalen-2-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-naphthalen-2-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide (CID 155683403) is (E)-3-naphthalen-2-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-naphthalen-2-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-naphthalen-2-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide is O=C(/C=C/c1ccc2ccccc2c1)NC(Cn1cncn1)c1ccccc1.
What is the InChIKey of (E)-3-naphthalen-2-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide?
The InChIKey is KIHGLHHJBMVELQ-ACCUITESSA-N. The full InChI is InChI=1S/C23H20N4O/c28-23(13-11-18-10-12-19-6-4-5-9-21(19)14-18)26-22(15-27-17-24-16-25-27)20-7-2-1-3-8-20/h1-14,16-17,22H,15H2,(H,26,28)/b13-11+.
What are the key properties of (E)-3-naphthalen-2-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide?
(E)-3-naphthalen-2-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide has a molecular weight of 368.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-2-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 155683403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).