(E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide

C23H23N3O3 — CID 55566812

IUPAC(E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
SMILESCc1cc(/C=C/C(=O)Nc2ccc(OCC(N)=O)cc2)c(C)n1-c1ccccc1
InChIInChI=1S/C23H23N3O3/c1-16-14-18(17(2)26(16)20-6-4-3-5-7-20)8-13-23(28)25-19-9-11-21(12-10-19)29-15-22(24)27/h3-14H,15H2,1-2H3,(H2,24,27)(H,25,28)/b13-8+
InChIKeyDHIPQCIBPPIXPX-MDWZMJQESA-N
MW389.46 g/mol
LogP3.61
Rot. Bonds7

About (E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide

(E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide (PubChem CID 55566812) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
PubChem CID55566812
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
SMILESCc1cc(/C=C/C(=O)Nc2ccc(OCC(N)=O)cc2)c(C)n1-c1ccccc1
InChIInChI=1S/C23H23N3O3/c1-16-14-18(17(2)26(16)20-6-4-3-5-7-20)8-13-23(28)25-19-9-11-21(12-10-19)29-15-22(24)27/h3-14H,15H2,1-2H3,(H2,24,27)(H,25,28)/b13-8+
InChIKeyDHIPQCIBPPIXPX-MDWZMJQESA-N
XLogP3.61
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)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)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-pyridin-3-ylprop-2-enamide
CID 26817365
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-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
CID 18266697
3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(4-bromo-3-methylphenyl)prop-2-enamide
CID 76854308
N'-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 94833446
(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857442
(E)-N-[2-(difluoromethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
CID 18284123
(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide
CID 25332251
(E)-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2-bromophenyl)prop-2-enamide
CID 24660268
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]prop-2-enamide
CID 56509158
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]prop-2-enamide
CID 134030275
benzyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enyl]carbamate
CID 169472972

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide (CID 55566812) is (E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide is Cc1cc(/C=C/C(=O)Nc2ccc(OCC(N)=O)cc2)c(C)n1-c1ccccc1.
What is the InChIKey of (E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide?
The InChIKey is DHIPQCIBPPIXPX-MDWZMJQESA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-14-18(17(2)26(16)20-6-4-3-5-7-20)8-13-23(28)25-19-9-11-21(12-10-19)29-15-22(24)27/h3-14H,15H2,1-2H3,(H2,24,27)(H,25,28)/b13-8+.
What are the key properties of (E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide?
(E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide has a molecular weight of 389.46 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide is sourced from PubChem (CID 55566812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).