N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C21H20N4O5 — CID 51949462

IUPACN-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESC[C@]1(c2cccc(NC(=O)CCCn3c(=O)oc4ccccc43)c2)NC(=O)NC1=O
InChIInChI=1S/C21H20N4O5/c1-21(18(27)23-19(28)24-21)13-6-4-7-14(12-13)22-17(26)10-5-11-25-15-8-2-3-9-16(15)30-20(25)29/h2-4,6-9,12H,5,10-11H2,1H3,(H,22,26)(H2,23,24,27,28)/t21-/m1/s1
InChIKeyXSTFXSSIOWMECM-OAQYLSRUSA-N
MW408.41 g/mol
LogP2.07
Rot. Bonds6

About N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 51949462) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID51949462
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC NameN-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESC[C@]1(c2cccc(NC(=O)CCCn3c(=O)oc4ccccc43)c2)NC(=O)NC1=O
InChIInChI=1S/C21H20N4O5/c1-21(18(27)23-19(28)24-21)13-6-4-7-14(12-13)22-17(26)10-5-11-25-15-8-2-3-9-16(15)30-20(25)29/h2-4,6-9,12H,5,10-11H2,1H3,(H,22,26)(H2,23,24,27,28)/t21-/m1/s1
InChIKeyXSTFXSSIOWMECM-OAQYLSRUSA-N
XLogP2.07
TPSA122.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619
N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292
7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
CID 119728470
N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275
N,N-diethyl-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide
CID 31290190
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822337
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907341
5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide
CID 60513548
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55504169
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4782954
3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949276

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 51949462) is N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is C[C@]1(c2cccc(NC(=O)CCCn3c(=O)oc4ccccc43)c2)NC(=O)NC1=O.
What is the InChIKey of N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is XSTFXSSIOWMECM-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-21(18(27)23-19(28)24-21)13-6-4-7-14(12-13)22-17(26)10-5-11-25-15-8-2-3-9-16(15)30-20(25)29/h2-4,6-9,12H,5,10-11H2,1H3,(H,22,26)(H2,23,24,27,28)/t21-/m1/s1.
What are the key properties of N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 408.41 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 51949462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).