N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide

C20H27N3O3 — CID 8625386

IUPACN-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
SMILESCC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)C3CC3)C2=O)cc1
InChIInChI=1S/C20H27N3O3/c1-12(2)14-7-9-16(10-8-14)20(4)18(25)23(19(26)22-20)11-17(24)21-13(3)15-5-6-15/h7-10,12-13,15H,5-6,11H2,1-4H3,(H,21,24)(H,22,26)/t13-,20+/m1/s1
InChIKeyLEQCTESVUYZTJK-XCLFUZPHSA-N
MW357.45 g/mol
LogP2.49
Rot. Bonds6

About N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide

N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide (PubChem CID 8625386) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
PubChem CID8625386
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
SMILESCC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)C3CC3)C2=O)cc1
InChIInChI=1S/C20H27N3O3/c1-12(2)14-7-9-16(10-8-14)20(4)18(25)23(19(26)22-20)11-17(24)21-13(3)15-5-6-15/h7-10,12-13,15H,5-6,11H2,1-4H3,(H,21,24)(H,22,26)/t13-,20+/m1/s1
InChIKeyLEQCTESVUYZTJK-XCLFUZPHSA-N
XLogP2.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.49
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

N-[(1S)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 40748494
N-[(1R)-1-cyclopropylethyl]-2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571449
N-[(2S)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7802579
2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8625506
N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-(2,6-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 94139870
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7595825
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 30054775
N-(cyclohexylmethyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 40706070
(5R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7802502
N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288712
N-(cyclopentylcarbamoyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7802553
N-(1-adamantyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7802483

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide (CID 8625386) is N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide is CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)C3CC3)C2=O)cc1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The InChIKey is LEQCTESVUYZTJK-XCLFUZPHSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-12(2)14-7-9-16(10-8-14)20(4)18(25)23(19(26)22-20)11-17(24)21-13(3)15-5-6-15/h7-10,12-13,15H,5-6,11H2,1-4H3,(H,21,24)(H,22,26)/t13-,20+/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 8625386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).