(E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide

C20H19N5O3 — CID 55850056

IUPAC(E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCOc1ccccc1-c1nc(NC(=O)CNC(=O)/C=C/c2ccccc2)n[nH]1
InChIInChI=1S/C20H19N5O3/c1-28-16-10-6-5-9-15(16)19-23-20(25-24-19)22-18(27)13-21-17(26)12-11-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,21,26)(H2,22,23,24,25,27)/b12-11+
InChIKeySOGNRVHBGSZOLP-VAWYXSNFSA-N
MW377.40 g/mol
LogP2.25
Rot. Bonds7

About (E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide

(E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 55850056) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is (E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID55850056
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name(E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCOc1ccccc1-c1nc(NC(=O)CNC(=O)/C=C/c2ccccc2)n[nH]1
InChIInChI=1S/C20H19N5O3/c1-28-16-10-6-5-9-15(16)19-23-20(25-24-19)22-18(27)13-21-17(26)12-11-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,21,26)(H2,22,23,24,25,27)/b12-11+
InChIKeySOGNRVHBGSZOLP-VAWYXSNFSA-N
XLogP2.25
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide with MolForge

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Related Compounds

(E)-N-[2-oxo-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)amino]ethyl]-3-phenylprop-2-enamide
CID 51107564
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide
CID 60510860
3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide
CID 55850055
2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 55646062
N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 49196261
(E)-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55437889
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide
CID 71709200
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615
(Z)-N-[2-[(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 136911606
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3977459
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-3-nitrobenzamide
CID 55646360

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide (CID 55850056) is (E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide is COc1ccccc1-c1nc(NC(=O)CNC(=O)/C=C/c2ccccc2)n[nH]1.
What is the InChIKey of (E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is SOGNRVHBGSZOLP-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-28-16-10-6-5-9-15(16)19-23-20(25-24-19)22-18(27)13-21-17(26)12-11-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,21,26)(H2,22,23,24,25,27)/b12-11+.
What are the key properties of (E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide?
(E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 377.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 55850056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).