N-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide

C21H21N3O4 — CID 40764733

IUPACN-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H21N3O4/c1-14(25)22-12-15-8-10-16(11-9-15)18(26)13-24-19(27)21(2,23-20(24)28)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,28)/t21-/m0/s1
InChIKeyXAPBGABWWINWGB-NRFANRHFSA-N
MW379.42 g/mol
LogP1.97
Rot. Bonds6

About N-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide

N-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide (PubChem CID 40764733) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide
PubChem CID40764733
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H21N3O4/c1-14(25)22-12-15-8-10-16(11-9-15)18(26)13-24-19(27)21(2,23-20(24)28)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,28)/t21-/m0/s1
InChIKeyXAPBGABWWINWGB-NRFANRHFSA-N
XLogP1.97
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.97
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

(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
N-[[4-(dimethylamino)phenyl]methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 97090099
3-methyl-N-[4-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]butanamide
CID 7171116
(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242493
4-[(4S)-4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl]benzonitrile
CID 93253019
3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46815454
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 55530375
N-[3-[4-[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]propyl]acetamide
CID 7487185
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708583
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
(5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171078
4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 17410105

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide (CID 40764733) is N-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1.
What is the InChIKey of N-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide?
The InChIKey is XAPBGABWWINWGB-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14(25)22-12-15-8-10-16(11-9-15)18(26)13-24-19(27)21(2,23-20(24)28)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,28)/t21-/m0/s1.
What are the key properties of N-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide?
N-[[4-[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 1.97, 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-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]methyl]acetamide is sourced from PubChem (CID 40764733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).