3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]prop-2-enamide

C21H24N4O3 — CID 72692291

IUPAC3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]prop-2-enamide
SMILESCc1ccc(-n2c(C)cc(C=CC(=O)NCCN3C(=O)CNC3=O)c2C)cc1
InChIInChI=1S/C21H24N4O3/c1-14-4-7-18(8-5-14)25-15(2)12-17(16(25)3)6-9-19(26)22-10-11-24-20(27)13-23-21(24)28/h4-9,12H,10-11,13H2,1-3H3,(H,22,26)(H,23,28)
InChIKeySDZKKMDOUROVIL-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.08
Rot. Bonds6

About 3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]prop-2-enamide

3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]prop-2-enamide (PubChem CID 72692291) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]prop-2-enamide
PubChem CID72692291
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]prop-2-enamide
SMILESCc1ccc(-n2c(C)cc(C=CC(=O)NCCN3C(=O)CNC3=O)c2C)cc1
InChIInChI=1S/C21H24N4O3/c1-14-4-7-18(8-5-14)25-15(2)12-17(16(25)3)6-9-19(26)22-10-11-24-20(27)13-23-21(24)28/h4-9,12H,10-11,13H2,1-3H3,(H,22,26)(H,23,28)
InChIKeySDZKKMDOUROVIL-UHFFFAOYSA-N
XLogP2.08
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]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-(4-methylphenyl)pyrrol-3-yl]-N-(2-methoxyethyl)prop-2-enamide
CID 32977005
(E)-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 55742205
(E)-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide
CID 56800528
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide
CID 110719076
N'-[(E)-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoyl]-4-methylsulfonylbenzohydrazide
CID 34966987
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
CID 55729648
2-[4-[3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 78817436
2-[4-[3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55461361
(E)-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 166204814
methyl 1-[3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoyl]piperidine-4-carboxylate
CID 76854512
(E)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-en-1-one
CID 17418148
(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]prop-2-enamide
CID 55440966

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]prop-2-enamide?
The IUPAC name of 3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]prop-2-enamide (CID 72692291) is 3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for 3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]prop-2-enamide is Cc1ccc(-n2c(C)cc(C=CC(=O)NCCN3C(=O)CNC3=O)c2C)cc1.
What is the InChIKey of 3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]prop-2-enamide?
The InChIKey is SDZKKMDOUROVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-4-7-18(8-5-14)25-15(2)12-17(16(25)3)6-9-19(26)22-10-11-24-20(27)13-23-21(24)28/h4-9,12H,10-11,13H2,1-3H3,(H,22,26)(H,23,28).
What are the key properties of 3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]prop-2-enamide?
3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]prop-2-enamide has a molecular weight of 380.45 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 72692291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).