(2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide

C26H32N4O4 — CID 41190610

IUPAC(2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCCCc1ccc([C@@]2(C)NC(=O)N([C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1
InChIInChI=1S/C26H32N4O4/c1-4-5-19-6-8-20(9-7-19)26(3)24(32)30(25(33)28-26)18(2)23(31)27-21-10-12-22(13-11-21)29-14-16-34-17-15-29/h6-13,18H,4-5,14-17H2,1-3H3,(H,27,31)(H,28,33)/t18-,26-/m1/s1
InChIKeyXBWWBQRQEYLMRS-WXTAPIANSA-N
MW464.57 g/mol
LogP3.27
Rot. Bonds7

About (2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide

(2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 41190610) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is (2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID41190610
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name(2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCCCc1ccc([C@@]2(C)NC(=O)N([C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1
InChIInChI=1S/C26H32N4O4/c1-4-5-19-6-8-20(9-7-19)26(3)24(32)30(25(33)28-26)18(2)23(31)27-21-10-12-22(13-11-21)29-14-16-34-17-15-29/h6-13,18H,4-5,14-17H2,1-3H3,(H,27,31)(H,28,33)/t18-,26-/m1/s1
InChIKeyXBWWBQRQEYLMRS-WXTAPIANSA-N
XLogP3.27
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.27
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': '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
(2S)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9329126
(5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 41143774
(2R)-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 41037007
2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24630086
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 9329114
(2R)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 25347097
N-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide
CID 987715
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
(2R)-N-(4-morpholin-4-ylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135794476
N-(4-acetamidophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
CID 45356013
(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
CID 58441866

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of (2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide (CID 41190610) is (2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide is CCCc1ccc([C@@]2(C)NC(=O)N([C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1.
What is the InChIKey of (2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is XBWWBQRQEYLMRS-WXTAPIANSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-4-5-19-6-8-20(9-7-19)26(3)24(32)30(25(33)28-26)18(2)23(31)27-21-10-12-22(13-11-21)29-14-16-34-17-15-29/h6-13,18H,4-5,14-17H2,1-3H3,(H,27,31)(H,28,33)/t18-,26-/m1/s1.
What are the key properties of (2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
(2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 464.57 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 41190610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).