N-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide

C23H25N3O4 — CID 7595727

IUPACN-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)C)cc3)C2=O)c1
InChIInChI=1S/C23H25N3O4/c1-14(2)16-8-10-18(11-9-16)23(4)21(29)26(22(30)25-23)13-20(28)24-19-7-5-6-17(12-19)15(3)27/h5-12,14H,13H2,1-4H3,(H,24,28)(H,25,30)/t23-/m0/s1
InChIKeyMQALQYHCOGZOBE-QHCPKHFHSA-N
MW407.47 g/mol
LogP3.42
Rot. Bonds6

About N-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide

N-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide (PubChem CID 7595727) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
PubChem CID7595727
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)C)cc3)C2=O)c1
InChIInChI=1S/C23H25N3O4/c1-14(2)16-8-10-18(11-9-16)23(4)21(29)26(22(30)25-23)13-20(28)24-19-7-5-6-17(12-19)15(3)27/h5-12,14H,13H2,1-4H3,(H,24,28)(H,25,30)/t23-/m0/s1
InChIKeyMQALQYHCOGZOBE-QHCPKHFHSA-N
XLogP3.42
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 7595754
2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 7595882
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 4804430
N-(3-acetylphenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2547789
N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595756
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 9246846
N-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 55327744
N-(4-bromo-3-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 46816684
N-(4-tert-butylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595762
N-(2,6-diethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595813
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595738
N-(3-acetylphenyl)-2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17498568

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide (CID 7595727) is N-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide is CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)C)cc3)C2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The InChIKey is MQALQYHCOGZOBE-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-14(2)16-8-10-18(11-9-16)23(4)21(29)26(22(30)25-23)13-20(28)24-19-7-5-6-17(12-19)15(3)27/h5-12,14H,13H2,1-4H3,(H,24,28)(H,25,30)/t23-/m0/s1.
What are the key properties of N-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 7595727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).