(2S)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide

C22H32N4O4 — CID 9297736

IUPAC(2S)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCCCC1(CCC)NC(=O)N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C22H32N4O4/c1-4-10-22(11-5-2)20(28)26(21(29)24-22)16(3)19(27)23-17-6-8-18(9-7-17)25-12-14-30-15-13-25/h6-9,16H,4-5,10-15H2,1-3H3,(H,23,27)(H,24,29)/t16-/m0/s1
InChIKeyXJGDENADTZZVNJ-INIZCTEOSA-N
MW416.52 g/mol
LogP2.74
Rot. Bonds8

About (2S)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide

(2S)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 9297736) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is (2S)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID9297736
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC Name(2S)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCCCC1(CCC)NC(=O)N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C22H32N4O4/c1-4-10-22(11-5-2)20(28)26(21(29)24-22)16(3)19(27)23-17-6-8-18(9-7-17)25-12-14-30-15-13-25/h6-9,16H,4-5,10-15H2,1-3H3,(H,23,27)(H,24,29)/t16-/m0/s1
InChIKeyXJGDENADTZZVNJ-INIZCTEOSA-N
XLogP2.74
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.74
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

1-Benzyl-3-(4-(4-morpholinyl)anilino)-2,5-pyrrolidinedione
CID 2861706
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2584000
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 4964169
N-((2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-morpholinoethyl)-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 11553971
(S)-N-(1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl)-3-(2-morpholinoethyl)-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 44576588
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 44576623
(S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(2-morpholinoethyl)-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 44593612
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437773
5-Methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 121437897
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 2396493
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 2108764
N-(cyclohexylmethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 4879277

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide (CID 9297736) is (2S)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide is CCCC1(CCC)NC(=O)N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1=O.
What is the InChIKey of (2S)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is XJGDENADTZZVNJ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-4-10-22(11-5-2)20(28)26(21(29)24-22)16(3)19(27)23-17-6-8-18(9-7-17)25-12-14-30-15-13-25/h6-9,16H,4-5,10-15H2,1-3H3,(H,23,27)(H,24,29)/t16-/m0/s1.
What are the key properties of (2S)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
(2S)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 416.52 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 9297736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).