2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide

C17H21N3O3 — CID 87022608

IUPAC2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CN1C(=O)CN(C2CC2)C1=O
InChIInChI=1S/C17H21N3O3/c1-12-5-3-4-6-13(12)9-18(2)15(21)10-20-16(22)11-19(17(20)23)14-7-8-14/h3-6,14H,7-11H2,1-2H3
InChIKeyLGNROCWORVIBQG-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.38
Rot. Bonds5

About 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide

2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 87022608) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID87022608
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CN1C(=O)CN(C2CC2)C1=O
InChIInChI=1S/C17H21N3O3/c1-12-5-3-4-6-13(12)9-18(2)15(21)10-20-16(22)11-19(17(20)23)14-7-8-14/h3-6,14H,7-11H2,1-2H3
InChIKeyLGNROCWORVIBQG-UHFFFAOYSA-N
XLogP1.38
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 87022611
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N,N-dimethylacetamide
CID 87022480
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78963394
2-(3-hydroxypyrrolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 62916160
2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 43556426
1-cyclopropyl-3-phenacylimidazolidine-2,4-dione
CID 87022456
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 24658769
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 114681183
2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 119923943
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 102977293
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 120663847

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 87022608) is 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CN(C)C(=O)CN1C(=O)CN(C2CC2)C1=O.
What is the InChIKey of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is LGNROCWORVIBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-5-3-4-6-13(12)9-18(2)15(21)10-20-16(22)11-19(17(20)23)14-7-8-14/h3-6,14H,7-11H2,1-2H3.
What are the key properties of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 87022608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).