2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-phenyl-N-propan-2-ylacetamide

C17H21N3O3 — CID 24534093

IUPAC2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN1C(=O)C2CCCN2C1=O)c1ccccc1
InChIInChI=1S/C17H21N3O3/c1-12(2)20(13-7-4-3-5-8-13)15(21)11-19-16(22)14-9-6-10-18(14)17(19)23/h3-5,7-8,12,14H,6,9-11H2,1-2H3
InChIKeyMHLVCEMLEHWMPL-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.85
Rot. Bonds4

About 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-phenyl-N-propan-2-ylacetamide

2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-phenyl-N-propan-2-ylacetamide (PubChem CID 24534093) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-phenyl-N-propan-2-ylacetamide
PubChem CID24534093
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN1C(=O)C2CCCN2C1=O)c1ccccc1
InChIInChI=1S/C17H21N3O3/c1-12(2)20(13-7-4-3-5-8-13)15(21)11-19-16(22)14-9-6-10-18(14)17(19)23/h3-5,7-8,12,14H,6,9-11H2,1-2H3
InChIKeyMHLVCEMLEHWMPL-UHFFFAOYSA-N
XLogP1.85
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-phenyl-N-propan-2-ylacetamide 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

2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 51535172
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-phenyl-N-propan-2-ylpropanamide
CID 87009439
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 47019475
2-(3-hydroxyazetidin-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 63282516
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-phenyl-N-propan-2-ylacetamide
CID 84601405
2-(2-phenoxyethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 71943910
2-[[cyclopropyl(phenyl)methyl]amino]-N-phenyl-N-propan-2-ylacetamide
CID 112806598
2-(3-amino-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 10114275
2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 78827345
(2R)-2-[(7aS)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N,N-diethyl-2-phenylacetamide
CID 100639944
(7aS)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 95151463
2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 42946430

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-phenyl-N-propan-2-ylacetamide (CID 24534093) is 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CN1C(=O)C2CCCN2C1=O)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is MHLVCEMLEHWMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12(2)20(13-7-4-3-5-8-13)15(21)11-19-16(22)14-9-6-10-18(14)17(19)23/h3-5,7-8,12,14H,6,9-11H2,1-2H3.
What are the key properties of 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-phenyl-N-propan-2-ylacetamide?
2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 315.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 24534093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).