2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

C22H24N4O4 — CID 2118924

IUPAC2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H24N4O4/c27-20(23-17-6-8-18(9-7-17)25-10-12-30-13-11-25)15-26-21(28)19(24-22(26)29)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,23,27)(H,24,29)/t19-/m0/s1
InChIKeyKMLIKPJBCDYZPU-IBGZPJMESA-N
MW408.46 g/mol
LogP1.62
Rot. Bonds6

About 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide

2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2118924) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2118924
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H24N4O4/c27-20(23-17-6-8-18(9-7-17)25-10-12-30-13-11-25)15-26-21(28)19(24-22(26)29)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,23,27)(H,24,29)/t19-/m0/s1
InChIKeyKMLIKPJBCDYZPU-IBGZPJMESA-N
XLogP1.62
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.62
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

2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2090381
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4879495
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 41093489
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 51864031
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 2602148
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 25361483
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 29170365
3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 46687587
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 41133469
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide
CID 41117633
(5R)-5-benzyl-3-(morpholin-4-ylmethyl)imidazolidine-2,4-dione
CID 31263332
2-[(2R,3aS,8aS)-2-benzyl-3a-methyl-5-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[3,2-b]azepin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 110152345

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 2118924) is 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is KMLIKPJBCDYZPU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N4O4/c27-20(23-17-6-8-18(9-7-17)25-10-12-30-13-11-25)15-26-21(28)19(24-22(26)29)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,23,27)(H,24,29)/t19-/m0/s1.
What are the key properties of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 408.46 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2118924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).