(E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide

C25H28N2O — CID 18266697

IUPAC(E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
SMILESCCc1cccc(CC)c1NC(=O)/C=C/c1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C25H28N2O/c1-5-20-11-10-12-21(6-2)25(20)26-24(28)16-15-22-17-18(3)27(19(22)4)23-13-8-7-9-14-23/h7-17H,5-6H2,1-4H3,(H,26,28)/b16-15+
InChIKeyGHVDSDVTDOCPAM-FOCLMDBBSA-N
MW372.51 g/mol
LogP5.87
Rot. Bonds6

About (E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide

(E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide (PubChem CID 18266697) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is (E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
PubChem CID18266697
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name(E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
SMILESCCc1cccc(CC)c1NC(=O)/C=C/c1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C25H28N2O/c1-5-20-11-10-12-21(6-2)25(20)26-24(28)16-15-22-17-18(3)27(19(22)4)23-13-8-7-9-14-23/h7-17H,5-6H2,1-4H3,(H,26,28)/b16-15+
InChIKeyGHVDSDVTDOCPAM-FOCLMDBBSA-N
XLogP5.87
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-pyridin-3-ylprop-2-enamide
CID 26817365
(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857442
(E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
CID 55566812
(E)-N-[2-(difluoromethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
CID 18284123
(E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylprop-2-enamide
CID 55370957
N-cyclopropyl-4-[[(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enoyl]amino]benzamide
CID 18230757
(E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide
CID 45051002
(E)-1-(azetidin-1-yl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-one
CID 17441452
N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 3643097
(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]prop-2-enamide
CID 55440966
(E)-1-(4-acetyl-1,4-diazepan-1-yl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-one
CID 134056404
3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-en-1-amine
CID 169464765

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide (CID 18266697) is (E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide is CCc1cccc(CC)c1NC(=O)/C=C/c1cc(C)n(-c2ccccc2)c1C.
What is the InChIKey of (E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide?
The InChIKey is GHVDSDVTDOCPAM-FOCLMDBBSA-N. The full InChI is InChI=1S/C25H28N2O/c1-5-20-11-10-12-21(6-2)25(20)26-24(28)16-15-22-17-18(3)27(19(22)4)23-13-8-7-9-14-23/h7-17H,5-6H2,1-4H3,(H,26,28)/b16-15+.
What are the key properties of (E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide?
(E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide has a molecular weight of 372.51 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,6-diethylphenyl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide is sourced from PubChem (CID 18266697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).