N-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide

C22H23N3O4 — CID 7178363

IUPACN-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-4-19(27)23-17-11-7-15(8-12-17)18(26)13-25-20(28)22(3,24-21(25)29)16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,27)(H,24,29)/t22-/m0/s1
InChIKeyKCPJSHONSLSZOO-QFIPXVFZSA-N
MW393.44 g/mol
LogP2.99
Rot. Bonds6

About N-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide

N-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide (PubChem CID 7178363) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
PubChem CID7178363
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-4-19(27)23-17-11-7-15(8-12-17)18(26)13-25-20(28)22(3,24-21(25)29)16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,27)(H,24,29)/t22-/m0/s1
InChIKeyKCPJSHONSLSZOO-QFIPXVFZSA-N
XLogP2.99
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
CID 7178360
N-[4-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
CID 4814138
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide
CID 7277275
(5S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178166
N-[4-[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
CID 7180488
5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 60583030
3-methyl-N-[4-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]butanamide
CID 7171116
4-[4-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
CID 155532792
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-pentylphenyl)acetamide
CID 43007214
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581350

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide?
The IUPAC name of N-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide (CID 7178363) is N-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of N-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide?
The InChIKey is KCPJSHONSLSZOO-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-4-19(27)23-17-11-7-15(8-12-17)18(26)13-25-20(28)22(3,24-21(25)29)16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,27)(H,24,29)/t22-/m0/s1.
What are the key properties of N-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide?
N-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide has a molecular weight of 393.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide is sourced from PubChem (CID 7178363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).