N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C22H22N4O4 — CID 40856002

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCc1nc2cc(NC(=O)CN3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)ccc2o1
InChIInChI=1S/C22H22N4O4/c1-14-23-17-12-16(8-9-18(17)30-14)24-19(27)13-26-20(28)22(2,25-21(26)29)11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,24,27)(H,25,29)/t22-/m0/s1
InChIKeyVBWGYFOVFPOYPV-QFIPXVFZSA-N
MW406.44 g/mol
LogP3.02
Rot. Bonds6

About N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 40856002) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID40856002
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCc1nc2cc(NC(=O)CN3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)ccc2o1
InChIInChI=1S/C22H22N4O4/c1-14-23-17-12-16(8-9-18(17)30-14)24-19(27)13-26-20(28)22(2,25-21(26)29)11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,24,27)(H,25,29)/t22-/m0/s1
InChIKeyVBWGYFOVFPOYPV-QFIPXVFZSA-N
XLogP3.02
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 16544949
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 9040652
N-(4-methoxyphenyl)-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507112
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9450990
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7639817
N-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7170941
N-(3-methoxyphenyl)-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507084
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 17402989
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7170984
N-(2,4-dichlorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2449403
N-(2-methoxydibenzofuran-3-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 41144382
N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 41144381

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 40856002) is N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is Cc1nc2cc(NC(=O)CN3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is VBWGYFOVFPOYPV-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-14-23-17-12-16(8-9-18(17)30-14)24-19(27)13-26-20(28)22(2,25-21(26)29)11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,24,27)(H,25,29)/t22-/m0/s1.
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 406.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 40856002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).