4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide

C19H27N3O3 — CID 18117086

IUPAC4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide
SMILESCc1ccc(CN(C)C(=O)CCCN2C(=O)NC(C)(C)C2=O)c(C)c1
InChIInChI=1S/C19H27N3O3/c1-13-8-9-15(14(2)11-13)12-21(5)16(23)7-6-10-22-17(24)19(3,4)20-18(22)25/h8-9,11H,6-7,10,12H2,1-5H3,(H,20,25)
InChIKeyYOEZEZJOWMNSOX-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.37
Rot. Bonds6

About 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide (PubChem CID 18117086) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide
PubChem CID18117086
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide
SMILESCc1ccc(CN(C)C(=O)CCCN2C(=O)NC(C)(C)C2=O)c(C)c1
InChIInChI=1S/C19H27N3O3/c1-13-8-9-15(14(2)11-13)12-21(5)16(23)7-6-10-22-17(24)19(3,4)20-18(22)25/h8-9,11H,6-7,10,12H2,1-5H3,(H,20,25)
InChIKeyYOEZEZJOWMNSOX-UHFFFAOYSA-N
XLogP2.37
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.37
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

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 18109840
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 43346985
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide
CID 60940329
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 78788881
2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl-methylamino]acetic acid
CID 43171118
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
CID 24515219
N-[2-(4-chlorophenoxy)ethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
CID 47008586
5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione
CID 87013212
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 32754685
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8943432
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide
CID 18120004

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide?
The IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide (CID 18117086) is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide is Cc1ccc(CN(C)C(=O)CCCN2C(=O)NC(C)(C)C2=O)c(C)c1.
What is the InChIKey of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide?
The InChIKey is YOEZEZJOWMNSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-8-9-15(14(2)11-13)12-21(5)16(23)7-6-10-22-17(24)19(3,4)20-18(22)25/h8-9,11H,6-7,10,12H2,1-5H3,(H,20,25).
What are the key properties of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide?
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide has a molecular weight of 345.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 18117086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).