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

C19H23Cl2N3O3 — CID 86867979

IUPAC2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(3,4-dichlorophenyl)butyl]acetamide
SMILESCCCC(NC(=O)CN1C(=O)NC(C)(C2CC2)C1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H23Cl2N3O3/c1-3-4-15(11-5-8-13(20)14(21)9-11)22-16(25)10-24-17(26)19(2,12-6-7-12)23-18(24)27/h5,8-9,12,15H,3-4,6-7,10H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyBTODDCOKVQCTSS-UHFFFAOYSA-N
MW412.32 g/mol
LogP3.67
Rot. Bonds7

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

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(3,4-dichlorophenyl)butyl]acetamide (PubChem CID 86867979) has the molecular formula C19H23Cl2N3O3 and a molecular weight of 412.32 g/mol. Its IUPAC name is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(3,4-dichlorophenyl)butyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(3,4-dichlorophenyl)butyl]acetamide
PubChem CID86867979
Molecular FormulaC19H23Cl2N3O3
Molecular Weight412.32 g/mol
Exact Mass411.11
IUPAC Name2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(3,4-dichlorophenyl)butyl]acetamide
SMILESCCCC(NC(=O)CN1C(=O)NC(C)(C2CC2)C1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H23Cl2N3O3/c1-3-4-15(11-5-8-13(20)14(21)9-11)22-16(25)10-24-17(26)19(2,12-6-7-12)23-18(24)27/h5,8-9,12,15H,3-4,6-7,10H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyBTODDCOKVQCTSS-UHFFFAOYSA-N
XLogP3.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8576444
N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 78810882
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 78791485
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 56519869
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 78807544
(2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119366870
2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 7618408
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
CID 31710027
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25334850
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25334851
N-(4-amino-3,5-dichlorophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46665102
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 30932708

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(3,4-dichlorophenyl)butyl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(3,4-dichlorophenyl)butyl]acetamide (CID 86867979) is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(3,4-dichlorophenyl)butyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(3,4-dichlorophenyl)butyl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(3,4-dichlorophenyl)butyl]acetamide is CCCC(NC(=O)CN1C(=O)NC(C)(C2CC2)C1=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(3,4-dichlorophenyl)butyl]acetamide?
The InChIKey is BTODDCOKVQCTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O3/c1-3-4-15(11-5-8-13(20)14(21)9-11)22-16(25)10-24-17(26)19(2,12-6-7-12)23-18(24)27/h5,8-9,12,15H,3-4,6-7,10H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(3,4-dichlorophenyl)butyl]acetamide?
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(3,4-dichlorophenyl)butyl]acetamide has a molecular weight of 412.32 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(3,4-dichlorophenyl)butyl]acetamide is sourced from PubChem (CID 86867979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).