2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide

C16H19N3O3 — CID 87022512

IUPAC2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2C(=O)CN(C3CC3)C2=O)cc1
InChIInChI=1S/C16H19N3O3/c1-11-2-4-12(5-3-11)8-17-14(20)9-19-15(21)10-18(16(19)22)13-6-7-13/h2-5,13H,6-10H2,1H3,(H,17,20)
InChIKeyVCZHMOYOWZVUJZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.04
Rot. Bonds5

About 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide

2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 87022512) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID87022512
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2C(=O)CN(C3CC3)C2=O)cc1
InChIInChI=1S/C16H19N3O3/c1-11-2-4-12(5-3-11)8-17-14(20)9-19-15(21)10-18(16(19)22)13-6-7-13/h2-5,13H,6-10H2,1H3,(H,17,20)
InChIKeyVCZHMOYOWZVUJZ-UHFFFAOYSA-N
XLogP1.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
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-[(4-fluorophenyl)methyl]acetamide
CID 87022462
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 47095418
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87022837
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 61235743
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 87022541
(3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26326584
1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24816632
N-[(4-methylphenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 46276056
2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616915
1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110687248
N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9325430

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 87022512) is 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2C(=O)CN(C3CC3)C2=O)cc1.
What is the InChIKey of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is VCZHMOYOWZVUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-2-4-12(5-3-11)8-17-14(20)9-19-15(21)10-18(16(19)22)13-6-7-13/h2-5,13H,6-10H2,1H3,(H,17,20).
What are the key properties of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 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-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 87022512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).