(E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-ethylphenyl)prop-2-enamide

C22H25N3O — CID 50854843

IUPAC(E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-ethylphenyl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)/C(C#N)=C/c1ccn(C2CCCCC2)c1
InChIInChI=1S/C22H25N3O/c1-2-18-8-6-7-11-21(18)24-22(26)19(15-23)14-17-12-13-25(16-17)20-9-4-3-5-10-20/h6-8,11-14,16,20H,2-5,9-10H2,1H3,(H,24,26)/b19-14+
InChIKeyOXVVLEZNNYPFOW-XMHGGMMESA-N
MW347.46 g/mol
LogP5.10
Rot. Bonds5

About (E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-ethylphenyl)prop-2-enamide

(E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-ethylphenyl)prop-2-enamide (PubChem CID 50854843) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-ethylphenyl)prop-2-enamide
PubChem CID50854843
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-ethylphenyl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)/C(C#N)=C/c1ccn(C2CCCCC2)c1
InChIInChI=1S/C22H25N3O/c1-2-18-8-6-7-11-21(18)24-22(26)19(15-23)14-17-12-13-25(16-17)20-9-4-3-5-10-20/h6-8,11-14,16,20H,2-5,9-10H2,1H3,(H,24,26)/b19-14+
InChIKeyOXVVLEZNNYPFOW-XMHGGMMESA-N
XLogP5.10
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-ethylphenyl)prop-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

(E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)prop-2-enamide
CID 50854834
(E)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-3-yl)prop-2-enamide
CID 50853543
(E)-2-cyano-N-(2-ethylphenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 1278925
(E)-2-cyano-N-(2-ethylphenyl)-3-[1-(4-methoxyphenyl)pyrrol-3-yl]prop-2-enamide
CID 50855772
(Z)-2-cyano-N-(2-ethylphenyl)-3-(1-methylpyrrol-2-yl)prop-2-enamide
CID 126102282
(E)-2-cyano-3-(4-ethoxyphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 19174952
(Z)-3-[4-(4-chlorophenyl)sulfanylphenyl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide
CID 126102160
(Z)-2-cyano-3-(2,5-dimethylfuran-3-yl)-N-(2-ethylphenyl)prop-2-enamide
CID 21374285
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108824495
(E)-2-cyano-N-(2-ethylphenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 18863339
(Z)-3-[1-(3-bromophenyl)pyrrol-2-yl]-2-cyano-N-(2-ethylphenyl)prop-2-enamide
CID 126023925
(E)-2-cyano-3-(2,4-dimethoxyphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 50927872

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-ethylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-ethylphenyl)prop-2-enamide (CID 50854843) is (E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-ethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-ethylphenyl)prop-2-enamide is CCc1ccccc1NC(=O)/C(C#N)=C/c1ccn(C2CCCCC2)c1.
What is the InChIKey of (E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-ethylphenyl)prop-2-enamide?
The InChIKey is OXVVLEZNNYPFOW-XMHGGMMESA-N. The full InChI is InChI=1S/C22H25N3O/c1-2-18-8-6-7-11-21(18)24-22(26)19(15-23)14-17-12-13-25(16-17)20-9-4-3-5-10-20/h6-8,11-14,16,20H,2-5,9-10H2,1H3,(H,24,26)/b19-14+.
What are the key properties of (E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-ethylphenyl)prop-2-enamide?
(E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-ethylphenyl)prop-2-enamide has a molecular weight of 347.46 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(1-cyclohexylpyrrol-3-yl)-N-(2-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 50854843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).