(E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide

C30H29N3O2 — CID 154707344

IUPAC(E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide
SMILESN#Cc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H29N3O2/c31-22-24-16-19-25(20-17-24)29(30(35)32-26-12-6-2-7-13-26)33(27-14-8-3-9-15-27)28(34)21-18-23-10-4-1-5-11-23/h1,3-5,8-11,14-21,26,29H,2,6-7,12-13H2,(H,32,35)/b21-18+
InChIKeyGOJACLXSWUNKAG-DYTRJAOYSA-N
MW463.58 g/mol
LogP5.79
Rot. Bonds7

About (E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide

(E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide (PubChem CID 154707344) has the molecular formula C30H29N3O2 and a molecular weight of 463.58 g/mol. Its IUPAC name is (E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide
PubChem CID154707344
Molecular FormulaC30H29N3O2
Molecular Weight463.58 g/mol
Exact Mass463.23
IUPAC Name(E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide
SMILESN#Cc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H29N3O2/c31-22-24-16-19-25(20-17-24)29(30(35)32-26-12-6-2-7-13-26)33(27-14-8-3-9-15-27)28(34)21-18-23-10-4-1-5-11-23/h1,3-5,8-11,14-21,26,29H,2,6-7,12-13H2,(H,32,35)/b21-18+
InChIKeyGOJACLXSWUNKAG-DYTRJAOYSA-N
XLogP5.79
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 44546045
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl] acetate
CID 648812
N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide
CID 3210627
2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide
CID 53364514
N-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide
CID 4177936
(E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide
CID 102046477
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide
CID 1466138
(2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide
CID 50992708
N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
CID 10141719
1-(4-cyanophenyl)-3-cyclohexyl-1-methylurea
CID 62981204
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide
CID 3210626

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide (CID 154707344) is (E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide is N#Cc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)/C=C/c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide?
The InChIKey is GOJACLXSWUNKAG-DYTRJAOYSA-N. The full InChI is InChI=1S/C30H29N3O2/c31-22-24-16-19-25(20-17-24)29(30(35)32-26-12-6-2-7-13-26)33(27-14-8-3-9-15-27)28(34)21-18-23-10-4-1-5-11-23/h1,3-5,8-11,14-21,26,29H,2,6-7,12-13H2,(H,32,35)/b21-18+.
What are the key properties of (E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide?
(E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide has a molecular weight of 463.58 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide is sourced from PubChem (CID 154707344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).