(2S)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide

C23H34N4O4 — CID 9329126

IUPAC(2S)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCCCCCC[C@@]1(C)NC(=O)N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C23H34N4O4/c1-4-5-6-7-12-23(3)21(29)27(22(30)25-23)17(2)20(28)24-18-8-10-19(11-9-18)26-13-15-31-16-14-26/h8-11,17H,4-7,12-16H2,1-3H3,(H,24,28)(H,25,30)/t17-,23+/m0/s1
InChIKeyZSTUVYWVCQVGDD-GAJHUEQPSA-N
MW430.55 g/mol
LogP3.13
Rot. Bonds9

About (2S)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide

(2S)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 9329126) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is (2S)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID9329126
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Name(2S)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCCCCCC[C@@]1(C)NC(=O)N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C23H34N4O4/c1-4-5-6-7-12-23(3)21(29)27(22(30)25-23)17(2)20(28)24-18-8-10-19(11-9-18)26-13-15-31-16-14-26/h8-11,17H,4-7,12-16H2,1-3H3,(H,24,28)(H,25,30)/t17-,23+/m0/s1
InChIKeyZSTUVYWVCQVGDD-GAJHUEQPSA-N
XLogP3.13
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9295432
(2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 41190610
(2R)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 41037007
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 9329114
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
CID 58441866
3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium
CID 7998281
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 25409091
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 41114565
(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 129419276
N-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7259158

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of (2S)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide (CID 9329126) is (2S)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide is CCCCCC[C@@]1(C)NC(=O)N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1=O.
What is the InChIKey of (2S)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is ZSTUVYWVCQVGDD-GAJHUEQPSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-4-5-6-7-12-23(3)21(29)27(22(30)25-23)17(2)20(28)24-18-8-10-19(11-9-18)26-13-15-31-16-14-26/h8-11,17H,4-7,12-16H2,1-3H3,(H,24,28)(H,25,30)/t17-,23+/m0/s1.
What are the key properties of (2S)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
(2S)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 430.55 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 9329126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).