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

C23H20N4O — CID 155683412

IUPAC(E)-3-naphthalen-1-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NC(Cn1cncn1)c1ccccc1
InChIInChI=1S/C23H20N4O/c28-23(14-13-19-11-6-10-18-7-4-5-12-21(18)19)26-22(15-27-17-24-16-25-27)20-8-2-1-3-9-20/h1-14,16-17,22H,15H2,(H,26,28)/b14-13+
InChIKeyFHECMRUBZFXERM-BUHFOSPRSA-N
MW368.44 g/mol
LogP4.00
Rot. Bonds6

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

(E)-3-naphthalen-1-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide (PubChem CID 155683412) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is (E)-3-naphthalen-1-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-naphthalen-1-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide
PubChem CID155683412
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name(E)-3-naphthalen-1-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)NC(Cn1cncn1)c1ccccc1
InChIInChI=1S/C23H20N4O/c28-23(14-13-19-11-6-10-18-7-4-5-12-21(18)19)26-22(15-27-17-24-16-25-27)20-8-2-1-3-9-20/h1-14,16-17,22H,15H2,(H,26,28)/b14-13+
InChIKeyFHECMRUBZFXERM-BUHFOSPRSA-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

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
(E)-3-naphthalen-2-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide
CID 155683403
2-phenyl-N-[4-(1,2,4-triazol-1-yl)butyl]benzamide
CID 13588861
2-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 13588873
2-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 51097419
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 53500042
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 53528337
4-acetyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide
CID 71893290
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
N-[1-oxo-1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-yl]-4-phenylbenzamide
CID 155538556

Frequently Asked Questions

What is the IUPAC name of (E)-3-naphthalen-1-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-naphthalen-1-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide (CID 155683412) is (E)-3-naphthalen-1-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-naphthalen-1-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-naphthalen-1-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide is O=C(/C=C/c1cccc2ccccc12)NC(Cn1cncn1)c1ccccc1.
What is the InChIKey of (E)-3-naphthalen-1-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide?
The InChIKey is FHECMRUBZFXERM-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H20N4O/c28-23(14-13-19-11-6-10-18-7-4-5-12-21(18)19)26-22(15-27-17-24-16-25-27)20-8-2-1-3-9-20/h1-14,16-17,22H,15H2,(H,26,28)/b14-13+.
What are the key properties of (E)-3-naphthalen-1-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide?
(E)-3-naphthalen-1-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-1-yl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 155683412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).