3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide

C19H27N3O3 — CID 73258555

IUPAC3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCC1NC(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C19H27N3O3/c1-14(2)10-12-20-17(23)9-8-16-18(24)22(19(25)21-16)13-11-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyZPXVGKPLJHYRCE-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.09
Rot. Bonds9

About 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide

3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide (PubChem CID 73258555) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide
PubChem CID73258555
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCC1NC(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C19H27N3O3/c1-14(2)10-12-20-17(23)9-8-16-18(24)22(19(25)21-16)13-11-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyZPXVGKPLJHYRCE-UHFFFAOYSA-N
XLogP2.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.09
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

3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 91637016
3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73257190
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide
CID 75357103
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73257802
N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide
CID 118985887
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 91641278
N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110210460
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 91822594
3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide
CID 51842013
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 71829558
3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 124847936
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide
CID 71826617

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide (CID 73258555) is 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCC1NC(=O)N(CCc2ccccc2)C1=O.
What is the InChIKey of 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide?
The InChIKey is ZPXVGKPLJHYRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(2)10-12-20-17(23)9-8-16-18(24)22(19(25)21-16)13-11-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,23)(H,21,25).
What are the key properties of 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide?
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide has a molecular weight of 345.44 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 73258555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).