(E)-3-(1-ethylindazol-3-yl)-N-phenyl-N-[2-[(2-phenylacetyl)amino]ethyl]prop-2-enamide

C28H28N4O2 — CID 25254635

IUPAC(E)-3-(1-ethylindazol-3-yl)-N-phenyl-N-[2-[(2-phenylacetyl)amino]ethyl]prop-2-enamide
SMILESCCn1nc(/C=C/C(=O)N(CCNC(=O)Cc2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C28H28N4O2/c1-2-32-26-16-10-9-15-24(26)25(30-32)17-18-28(34)31(23-13-7-4-8-14-23)20-19-29-27(33)21-22-11-5-3-6-12-22/h3-18H,2,19-21H2,1H3,(H,29,33)/b18-17+
InChIKeyCCHJKVOAWFFLJP-ISLYRVAYSA-N
MW452.56 g/mol
LogP4.46
Rot. Bonds9

About (E)-3-(1-ethylindazol-3-yl)-N-phenyl-N-[2-[(2-phenylacetyl)amino]ethyl]prop-2-enamide

(E)-3-(1-ethylindazol-3-yl)-N-phenyl-N-[2-[(2-phenylacetyl)amino]ethyl]prop-2-enamide (PubChem CID 25254635) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is (E)-3-(1-ethylindazol-3-yl)-N-phenyl-N-[2-[(2-phenylacetyl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-ethylindazol-3-yl)-N-phenyl-N-[2-[(2-phenylacetyl)amino]ethyl]prop-2-enamide
PubChem CID25254635
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name(E)-3-(1-ethylindazol-3-yl)-N-phenyl-N-[2-[(2-phenylacetyl)amino]ethyl]prop-2-enamide
SMILESCCn1nc(/C=C/C(=O)N(CCNC(=O)Cc2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C28H28N4O2/c1-2-32-26-16-10-9-15-24(26)25(30-32)17-18-28(34)31(23-13-7-4-8-14-23)20-19-29-27(33)21-22-11-5-3-6-12-22/h3-18H,2,19-21H2,1H3,(H,29,33)/b18-17+
InChIKeyCCHJKVOAWFFLJP-ISLYRVAYSA-N
XLogP4.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.46
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-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide
CID 74435227
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 71957751
N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
CID 113060356
N-[2-(N-acetyl-2-ethylanilino)ethyl]-2-phenylacetamide
CID 113058316
(E)-N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 46052734
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide
CID 113061825
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide
CID 113059109
2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide
CID 17427622
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 71957999
N-[2-(diethylamino)ethyl]-2-(3-methylphenyl)acetamide
CID 17144542
N-[[4-(diethylamino)phenyl]methyl]-2-phenylacetamide
CID 99839692

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-ethylindazol-3-yl)-N-phenyl-N-[2-[(2-phenylacetyl)amino]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(1-ethylindazol-3-yl)-N-phenyl-N-[2-[(2-phenylacetyl)amino]ethyl]prop-2-enamide (CID 25254635) is (E)-3-(1-ethylindazol-3-yl)-N-phenyl-N-[2-[(2-phenylacetyl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-ethylindazol-3-yl)-N-phenyl-N-[2-[(2-phenylacetyl)amino]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-ethylindazol-3-yl)-N-phenyl-N-[2-[(2-phenylacetyl)amino]ethyl]prop-2-enamide is CCn1nc(/C=C/C(=O)N(CCNC(=O)Cc2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of (E)-3-(1-ethylindazol-3-yl)-N-phenyl-N-[2-[(2-phenylacetyl)amino]ethyl]prop-2-enamide?
The InChIKey is CCHJKVOAWFFLJP-ISLYRVAYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-2-32-26-16-10-9-15-24(26)25(30-32)17-18-28(34)31(23-13-7-4-8-14-23)20-19-29-27(33)21-22-11-5-3-6-12-22/h3-18H,2,19-21H2,1H3,(H,29,33)/b18-17+.
What are the key properties of (E)-3-(1-ethylindazol-3-yl)-N-phenyl-N-[2-[(2-phenylacetyl)amino]ethyl]prop-2-enamide?
(E)-3-(1-ethylindazol-3-yl)-N-phenyl-N-[2-[(2-phenylacetyl)amino]ethyl]prop-2-enamide has a molecular weight of 452.56 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-ethylindazol-3-yl)-N-phenyl-N-[2-[(2-phenylacetyl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 25254635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).